REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1a4e_1_A DATA FIRST_RESID 15 DATA SEQUENCE DVREDRVVTN STGNPINEPF VTQRIGEHGP LLLQDYNLID SLAHFNRENI DATA SEQUENCE PQRNPHAHGS GAFGYFEVTD DITDICGSAM FSKIGKRTKC LTRFSTVGGD DATA SEQUENCE KGSADTVRDP RGFATKFYTE EGNLDWVYNN TPVFFIRDPS KFPHFIHTQK DATA SEQUENCE RNPQTNLRDA DMFWDFLTTP ENQVAIHQVM ILFSDRGTPA NYRSMHGYSG DATA SEQUENCE HTYKWSNKNG DWHYVQVHIK TDQGIKNLTI EEATKIAGSN PDYCQQDLFE DATA SEQUENCE AIQNGNYPSW TVYIQTMTER DAKKLPFSVF DLTKVWPQGQ FPLRRVGKIV DATA SEQUENCE LNENPLNFFA QVEQAAFAPS TTVPYQEASA DPVLQARLFS YADAHRYRLG DATA SEQUENCE PNFHQIPVNC PYASKFFNPA IRDGPMNVNG NFGSEPTYLA NDKSYTYIQQ DATA SEQUENCE DRPIQQHQEV WNGPAIPYHW ATSPGDVDFV QARNLYRVLG KQPGQQKNLA DATA SEQUENCE YNIGIHVEGA CPQIQQRVYD MFARVDKGLS EAIKKVAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 15 D HA 0.000 nan 4.640 nan 0.000 0.175 15 D C 0.000 176.295 176.300 -0.009 0.000 2.045 15 D CA 0.000 53.994 54.000 -0.010 0.000 0.868 15 D CB 0.000 40.791 40.800 -0.015 0.000 0.688 16 V N 1.748 121.659 119.914 -0.005 0.000 2.529 16 V HA 0.105 4.225 4.120 0.000 0.000 0.292 16 V C 0.710 176.799 176.094 -0.009 0.000 1.028 16 V CA 0.077 62.374 62.300 -0.006 0.000 1.074 16 V CB -0.048 31.774 31.823 -0.001 0.000 0.958 16 V HN 0.427 nan 8.190 nan 0.000 0.481 17 R N 3.440 123.934 120.500 -0.011 0.000 2.522 17 R HA 0.136 4.476 4.340 0.000 0.000 0.284 17 R C 0.702 176.996 176.300 -0.010 0.000 1.032 17 R CA -0.099 55.994 56.100 -0.012 0.000 1.049 17 R CB 0.402 30.695 30.300 -0.013 0.000 0.956 17 R HN 0.712 nan 8.270 nan 0.000 0.422 18 E N 1.620 121.814 120.200 -0.010 0.000 2.130 18 E HA -0.260 4.090 4.350 0.000 0.000 0.196 18 E C 0.889 177.484 176.600 -0.009 0.000 0.998 18 E CA 1.805 58.200 56.400 -0.009 0.000 0.806 18 E CB -0.028 29.667 29.700 -0.009 0.000 0.738 18 E HN 0.834 nan 8.360 nan 0.000 0.459 19 D N 0.125 120.520 120.400 -0.010 0.000 2.363 19 D HA -0.120 4.520 4.640 0.000 0.000 0.220 19 D C 0.210 176.503 176.300 -0.012 0.000 0.994 19 D CA 0.180 54.174 54.000 -0.010 0.000 0.890 19 D CB -0.239 40.555 40.800 -0.011 0.000 0.906 19 D HN 0.012 nan 8.370 nan 0.000 0.530 20 R N -0.706 119.787 120.500 -0.012 0.000 3.516 20 R HA -0.129 4.211 4.340 0.000 0.000 0.271 20 R C -0.621 175.667 176.300 -0.020 0.000 1.098 20 R CA 0.217 56.309 56.100 -0.014 0.000 0.732 20 R CB -2.288 28.005 30.300 -0.012 0.000 1.152 20 R HN 0.142 nan 8.270 nan 0.000 0.455 21 V N 1.540 121.442 119.914 -0.020 0.000 2.479 21 V HA 0.069 4.189 4.120 0.000 0.000 0.281 21 V C 1.042 177.118 176.094 -0.029 0.000 1.031 21 V CA -0.019 62.266 62.300 -0.024 0.000 1.038 21 V CB 1.536 33.347 31.823 -0.020 0.000 0.981 21 V HN 0.029 nan 8.190 nan 0.000 0.478 22 V N 6.040 125.930 119.914 -0.039 0.000 2.488 22 V HA 0.418 4.538 4.120 0.000 0.000 0.277 22 V C 0.631 176.701 176.094 -0.040 0.000 1.046 22 V CA 0.056 62.328 62.300 -0.047 0.000 0.986 22 V CB 1.223 33.004 31.823 -0.071 0.000 0.989 22 V HN 1.091 nan 8.190 nan 0.000 0.475 23 T N 1.568 116.103 114.554 -0.032 0.000 2.888 23 T HA 0.565 4.915 4.350 0.000 0.000 0.288 23 T C -0.190 174.501 174.700 -0.015 0.000 1.063 23 T CA -0.983 61.106 62.100 -0.018 0.000 1.010 23 T CB 1.923 70.784 68.868 -0.012 0.000 1.214 23 T HN 0.624 nan 8.240 nan 0.000 0.533 24 N N 0.243 118.947 118.700 0.008 0.000 2.381 24 N HA 0.270 5.010 4.740 0.000 0.000 0.289 24 N C 1.218 176.730 175.510 0.003 0.000 1.288 24 N CA -0.436 52.626 53.050 0.019 0.000 0.960 24 N CB -0.588 37.944 38.487 0.074 0.000 1.116 24 N HN 0.496 nan 8.380 nan 0.000 0.557 25 S N -1.575 114.129 115.700 0.006 0.000 2.400 25 S HA -0.119 4.351 4.470 0.000 0.000 0.232 25 S C 1.105 175.702 174.600 -0.004 0.000 1.025 25 S CA 1.650 59.844 58.200 -0.010 0.000 0.993 25 S CB -0.841 62.362 63.200 0.006 0.000 0.808 25 S HN 0.865 nan 8.310 nan 0.000 0.478 26 T N -1.615 112.941 114.554 0.003 0.000 3.273 26 T HA 0.503 4.853 4.350 0.000 0.000 0.254 26 T C 1.200 175.896 174.700 -0.007 0.000 1.002 26 T CA 0.435 62.531 62.100 -0.006 0.000 0.913 26 T CB 0.202 69.059 68.868 -0.017 0.000 1.056 26 T HN 0.445 nan 8.240 nan 0.000 0.576 27 G N 1.736 110.533 108.800 -0.004 0.000 2.162 27 G HA2 -0.284 3.676 3.960 0.000 0.000 0.260 27 G HA3 -0.284 3.676 3.960 0.000 0.000 0.260 27 G C -0.179 174.722 174.900 0.001 0.000 0.976 27 G CA -0.148 44.949 45.100 -0.005 0.000 0.655 27 G HN 0.695 nan 8.290 nan 0.000 0.533 28 N N 2.024 120.731 118.700 0.012 0.000 2.470 28 N HA 0.476 5.216 4.740 0.000 0.000 0.268 28 N C -2.681 172.844 175.510 0.025 0.000 1.136 28 N CA -1.277 51.788 53.050 0.025 0.000 0.961 28 N CB 1.010 39.527 38.487 0.050 0.000 1.067 28 N HN 0.113 nan 8.380 nan 0.000 0.468 29 P HA 0.042 nan 4.420 nan 0.000 0.267 29 P C -0.491 176.809 177.300 -0.001 0.000 1.205 29 P CA 0.266 63.367 63.100 0.000 0.000 0.765 29 P CB 0.606 32.304 31.700 -0.004 0.000 0.828 30 I N 3.820 124.377 120.570 -0.021 0.000 2.342 30 I HA 0.123 4.293 4.170 0.000 0.000 0.291 30 I C 1.485 177.572 176.117 -0.051 0.000 1.010 30 I CA -0.327 60.949 61.300 -0.039 0.000 1.308 30 I CB 1.263 39.227 38.000 -0.061 0.000 1.400 30 I HN 0.391 nan 8.210 nan 0.000 0.488 31 N N 4.638 123.310 118.700 -0.047 0.000 2.422 31 N HA -0.007 4.733 4.740 0.000 0.000 0.181 31 N C 0.148 175.623 175.510 -0.058 0.000 1.080 31 N CA 0.539 53.562 53.050 -0.045 0.000 0.893 31 N CB 0.390 38.859 38.487 -0.031 0.000 0.973 31 N HN 0.515 nan 8.380 nan 0.000 0.456 32 E N 0.075 120.227 120.200 -0.079 0.000 2.321 32 E HA 0.206 4.556 4.350 0.000 0.000 0.281 32 E C -2.154 174.346 176.600 -0.166 0.000 0.910 32 E CA -1.445 54.897 56.400 -0.096 0.000 0.770 32 E CB 2.258 31.924 29.700 -0.056 0.000 1.225 32 E HN -0.113 nan 8.360 nan 0.000 0.417 33 P HA -0.070 nan 4.420 nan 0.000 0.216 33 P C 0.801 177.703 177.300 -0.664 0.000 1.153 33 P CA 1.262 63.996 63.100 -0.609 0.000 0.858 33 P CB 0.132 31.245 31.700 -0.978 0.000 0.789 34 F N -0.754 119.177 119.950 -0.031 0.000 2.706 34 F HA 0.134 4.661 4.527 0.000 0.000 0.313 34 F C 1.019 176.794 175.800 -0.042 0.000 1.096 34 F CA -0.938 57.040 58.000 -0.036 0.000 1.219 34 F CB -0.726 38.255 39.000 -0.032 0.000 1.051 34 F HN -0.297 nan 8.300 nan 0.000 0.568 35 V N 0.741 120.699 119.914 0.074 0.000 2.599 35 V HA 0.411 4.531 4.120 0.000 0.000 0.300 35 V C 0.235 176.328 176.094 -0.002 0.000 1.034 35 V CA -0.258 62.058 62.300 0.026 0.000 1.115 35 V CB 0.009 31.823 31.823 -0.014 0.000 0.934 35 V HN 0.351 nan 8.190 nan 0.000 0.485 36 T N 2.303 116.852 114.554 -0.008 0.000 2.848 36 T HA 0.518 4.868 4.350 0.000 0.000 0.285 36 T C -0.513 174.162 174.700 -0.043 0.000 0.995 36 T CA -0.740 61.341 62.100 -0.031 0.000 0.970 36 T CB 1.514 70.373 68.868 -0.016 0.000 0.976 36 T HN 0.815 nan 8.240 nan 0.000 0.441 37 Q N 2.262 122.026 119.800 -0.060 0.000 2.332 37 Q HA 0.454 4.794 4.340 0.000 0.000 0.263 37 Q C 0.374 176.349 176.000 -0.042 0.000 0.979 37 Q CA -0.298 55.471 55.803 -0.056 0.000 0.885 37 Q CB 0.859 29.557 28.738 -0.068 0.000 1.218 37 Q HN 0.750 nan 8.270 nan 0.000 0.405 38 R N 0.765 121.241 120.500 -0.040 0.000 2.766 38 R HA 0.480 4.820 4.340 0.000 0.000 0.270 38 R C -1.134 175.148 176.300 -0.031 0.000 1.035 38 R CA -1.025 55.056 56.100 -0.031 0.000 0.911 38 R CB 0.694 30.974 30.300 -0.032 0.000 1.243 38 R HN 0.342 nan 8.270 nan 0.000 0.460 39 I N 1.985 122.543 120.570 -0.021 0.000 2.396 39 I HA 0.278 4.448 4.170 0.000 0.000 0.289 39 I C 1.303 177.403 176.117 -0.027 0.000 1.056 39 I CA 1.500 62.788 61.300 -0.019 0.000 1.365 39 I CB -0.153 37.843 38.000 -0.007 0.000 1.407 39 I HN 1.018 nan 8.210 nan 0.000 0.509 40 G N 7.104 115.883 108.800 -0.036 0.000 2.562 40 G HA2 -0.259 3.701 3.960 0.000 0.000 0.250 40 G HA3 -0.259 3.701 3.960 0.000 0.000 0.250 40 G C 0.564 175.402 174.900 -0.104 0.000 1.269 40 G CA 0.121 45.190 45.100 -0.051 0.000 0.919 40 G HN 0.617 nan 8.290 nan 0.000 0.574 41 E N -0.342 119.754 120.200 -0.173 0.000 2.276 41 E HA 0.070 4.420 4.350 0.000 0.000 0.193 41 E C 0.792 177.015 176.600 -0.628 0.000 0.983 41 E CA 0.663 56.827 56.400 -0.393 0.000 0.861 41 E CB 0.188 29.593 29.700 -0.491 0.000 0.817 41 E HN 0.530 nan 8.360 nan 0.000 0.485 42 H N -0.598 118.467 119.070 -0.007 0.000 2.637 42 H HA 0.289 4.845 4.556 0.000 0.000 0.245 42 H C 0.372 175.696 175.328 -0.008 0.000 1.190 42 H CA -0.041 56.002 56.048 -0.008 0.000 0.934 42 H CB 0.605 30.362 29.762 -0.008 0.000 1.950 42 H HN 0.034 nan 8.280 nan 0.000 0.614 43 G N 1.361 110.185 108.800 0.041 0.000 2.532 43 G HA2 0.379 4.339 3.960 0.000 0.000 0.291 43 G HA3 0.379 4.339 3.960 0.000 0.000 0.291 43 G C -2.339 172.573 174.900 0.020 0.000 1.349 43 G CA -1.328 43.790 45.100 0.029 0.000 1.038 43 G HN -0.031 nan 8.290 nan 0.000 0.518 44 P HA 0.248 nan 4.420 nan 0.000 0.271 44 P C -0.394 176.906 177.300 0.001 0.000 1.218 44 P CA -0.610 62.495 63.100 0.009 0.000 0.780 44 P CB 0.679 32.383 31.700 0.008 0.000 0.901 45 L N 2.705 123.929 121.223 0.001 0.000 2.461 45 L HA 0.116 4.456 4.340 0.000 0.000 0.272 45 L C 0.120 176.987 176.870 -0.004 0.000 1.197 45 L CA 0.489 55.326 54.840 -0.005 0.000 0.836 45 L CB -0.305 41.752 42.059 -0.004 0.000 1.105 45 L HN 0.257 nan 8.230 nan 0.000 0.477 46 L N 4.078 125.294 121.223 -0.010 0.000 2.322 46 L HA 0.263 4.603 4.340 0.000 0.000 0.279 46 L C 1.232 178.102 176.870 -0.000 0.000 1.036 46 L CA -0.573 54.264 54.840 -0.005 0.000 0.807 46 L CB 1.297 43.349 42.059 -0.010 0.000 1.226 46 L HN 0.605 nan 8.230 nan 0.000 0.433 47 L N 1.946 123.176 121.223 0.013 0.000 2.191 47 L HA -0.197 4.143 4.340 0.000 0.000 0.212 47 L C 2.401 179.296 176.870 0.041 0.000 1.103 47 L CA 1.341 56.197 54.840 0.026 0.000 0.769 47 L CB -0.058 42.020 42.059 0.031 0.000 0.908 47 L HN 0.843 nan 8.230 nan 0.000 0.438 48 Q N -1.300 118.523 119.800 0.038 0.000 2.488 48 Q HA -0.149 4.191 4.340 0.000 0.000 0.211 48 Q C 0.336 176.342 176.000 0.009 0.000 0.967 48 Q CA 0.463 56.310 55.803 0.072 0.000 0.926 48 Q CB -0.297 28.479 28.738 0.062 0.000 0.992 48 Q HN 0.213 nan 8.270 nan 0.000 0.506 49 D N 1.013 121.373 120.400 -0.066 0.000 2.508 49 D HA -0.027 4.613 4.640 0.000 0.000 0.224 49 D C 0.213 176.422 176.300 -0.151 0.000 1.171 49 D CA -0.464 53.416 54.000 -0.200 0.000 1.006 49 D CB 0.068 40.791 40.800 -0.128 0.000 1.073 49 D HN 0.405 nan 8.370 nan 0.000 0.513 50 Y N 1.506 121.812 120.300 0.009 0.000 2.439 50 Y HA 0.053 4.603 4.550 0.000 0.000 0.292 50 Y C 1.573 177.481 175.900 0.013 0.000 1.130 50 Y CA 0.223 58.330 58.100 0.012 0.000 1.254 50 Y CB -0.588 37.878 38.460 0.009 0.000 1.000 50 Y HN 0.101 nan 8.280 nan 0.000 0.554 51 N N 0.867 119.463 118.700 -0.174 0.000 2.270 51 N HA -0.110 4.630 4.740 0.000 0.000 0.181 51 N C 1.702 177.204 175.510 -0.014 0.000 1.016 51 N CA 1.179 54.208 53.050 -0.035 0.000 0.870 51 N CB -0.314 38.099 38.487 -0.123 0.000 0.979 51 N HN 0.416 nan 8.380 nan 0.000 0.431 52 L N 1.077 122.274 121.223 -0.044 0.000 2.027 52 L HA 0.002 4.342 4.340 0.000 0.000 0.206 52 L C 1.793 178.680 176.870 0.028 0.000 1.074 52 L CA 1.262 56.097 54.840 -0.008 0.000 0.745 52 L CB -0.448 41.598 42.059 -0.021 0.000 0.898 52 L HN -0.010 nan 8.230 nan 0.000 0.433 53 I N -0.076 120.520 120.570 0.043 0.000 2.315 53 I HA -0.239 3.931 4.170 0.000 0.000 0.248 53 I C 2.267 178.438 176.117 0.090 0.000 1.117 53 I CA 1.466 62.806 61.300 0.068 0.000 1.404 53 I CB -1.496 36.551 38.000 0.078 0.000 1.071 53 I HN 0.396 nan 8.210 nan 0.000 0.419 54 D N 0.407 120.869 120.400 0.102 0.000 2.097 54 D HA -0.191 4.449 4.640 0.000 0.000 0.195 54 D C 2.405 178.776 176.300 0.118 0.000 0.989 54 D CA 1.828 55.896 54.000 0.112 0.000 0.827 54 D CB 0.135 41.005 40.800 0.115 0.000 0.966 54 D HN 0.121 nan 8.370 nan 0.000 0.456 55 S N -1.182 114.574 115.700 0.094 0.000 2.345 55 S HA -0.023 4.447 4.470 0.000 0.000 0.220 55 S C 2.154 176.843 174.600 0.149 0.000 1.031 55 S CA 0.793 59.056 58.200 0.104 0.000 0.996 55 S CB -0.431 62.806 63.200 0.061 0.000 0.882 55 S HN 0.336 nan 8.310 nan 0.000 0.445 56 L N 1.001 122.289 121.223 0.108 0.000 2.131 56 L HA -0.050 4.290 4.340 0.000 0.000 0.210 56 L C 2.838 179.822 176.870 0.190 0.000 1.092 56 L CA 1.214 56.129 54.840 0.126 0.000 0.759 56 L CB -0.620 41.477 42.059 0.065 0.000 0.903 56 L HN 0.413 nan 8.230 nan 0.000 0.435 57 A N -1.446 121.463 122.820 0.148 0.000 1.970 57 A HA -0.207 4.113 4.320 0.000 0.000 0.216 57 A C 2.239 179.891 177.584 0.113 0.000 1.170 57 A CA 0.978 53.086 52.037 0.118 0.000 0.645 57 A CB -0.687 18.368 19.000 0.091 0.000 0.816 57 A HN 0.411 nan 8.150 nan 0.000 0.447 58 H N -1.762 117.360 119.070 0.087 0.000 2.428 58 H HA -0.090 4.466 4.556 -0.000 0.000 0.296 58 H C 1.820 177.185 175.328 0.062 0.000 1.062 58 H CA 1.620 57.702 56.048 0.057 0.000 1.350 58 H CB -0.200 29.593 29.762 0.052 0.000 1.403 58 H HN 0.497 nan 8.280 nan 0.000 0.533 59 F N 2.200 122.208 119.950 0.096 0.000 2.126 59 F HA -0.212 4.315 4.527 -0.000 0.000 0.299 59 F C 1.950 177.738 175.800 -0.020 0.000 1.096 59 F CA 1.417 59.440 58.000 0.039 0.000 1.255 59 F CB -0.374 38.650 39.000 0.040 0.000 0.997 59 F HN 0.067 nan 8.300 nan 0.000 0.479 60 N N 0.534 119.253 118.700 0.031 0.000 2.519 60 N HA -0.104 4.636 4.740 0.000 0.000 0.186 60 N C 1.025 176.433 175.510 -0.169 0.000 1.062 60 N CA 0.920 53.925 53.050 -0.075 0.000 0.910 60 N CB -0.289 38.224 38.487 0.043 0.000 0.958 60 N HN 0.423 nan 8.380 nan 0.000 0.445 61 R N -0.065 120.301 120.500 -0.223 0.000 2.577 61 R HA 0.213 4.553 4.340 0.000 0.000 0.344 61 R C 0.813 176.924 176.300 -0.316 0.000 1.037 61 R CA -0.089 55.859 56.100 -0.254 0.000 1.102 61 R CB 0.489 30.624 30.300 -0.274 0.000 1.313 61 R HN 0.264 nan 8.270 nan 0.000 0.561 62 E N 0.655 120.649 120.200 -0.344 0.000 2.150 62 E HA -0.056 4.294 4.350 0.000 0.000 0.193 62 E C 0.021 176.443 176.600 -0.297 0.000 0.985 62 E CA 0.694 56.881 56.400 -0.355 0.000 0.814 62 E CB 0.167 29.641 29.700 -0.376 0.000 0.752 62 E HN 0.236 nan 8.360 nan 0.000 0.466 63 N N 1.171 119.761 118.700 -0.184 0.000 2.456 63 N HA 0.245 4.985 4.740 0.000 0.000 0.288 63 N C -0.053 175.469 175.510 0.020 0.000 1.059 63 N CA -0.193 52.831 53.050 -0.044 0.000 0.946 63 N CB 1.364 39.820 38.487 -0.052 0.000 1.150 63 N HN 0.080 nan 8.380 nan 0.000 0.479 64 I N -1.579 119.067 120.570 0.128 0.000 2.822 64 I HA 0.634 4.804 4.170 0.000 0.000 0.312 64 I C -2.195 173.946 176.117 0.039 0.000 1.011 64 I CA -2.406 58.934 61.300 0.066 0.000 1.105 64 I CB 0.667 38.723 38.000 0.092 0.000 1.291 64 I HN 0.151 nan 8.210 nan 0.000 0.474 65 P HA 0.075 nan 4.420 nan 0.000 0.265 65 P C -1.119 176.220 177.300 0.065 0.000 1.193 65 P CA -0.179 62.943 63.100 0.038 0.000 0.765 65 P CB 0.430 32.162 31.700 0.054 0.000 0.823 66 Q N 2.473 122.324 119.800 0.085 0.000 2.394 66 Q HA 0.237 4.577 4.340 0.000 0.000 0.248 66 Q C -0.288 175.770 176.000 0.097 0.000 0.992 66 Q CA -0.634 55.227 55.803 0.097 0.000 0.888 66 Q CB 0.705 29.507 28.738 0.106 0.000 1.257 66 Q HN 0.289 nan 8.270 nan 0.000 0.462 67 R N 1.365 121.925 120.500 0.099 0.000 2.698 67 R HA 0.036 4.376 4.340 0.000 0.000 0.266 67 R C -0.441 175.921 176.300 0.103 0.000 1.026 67 R CA 0.162 56.321 56.100 0.098 0.000 1.102 67 R CB 0.139 30.509 30.300 0.116 0.000 0.978 67 R HN 0.584 nan 8.270 nan 0.000 0.436 68 N N 2.449 121.199 118.700 0.083 0.000 2.573 68 N HA 0.311 5.051 4.740 0.000 0.000 0.262 68 N C -2.461 173.121 175.510 0.119 0.000 1.029 68 N CA -1.722 51.379 53.050 0.084 0.000 0.882 68 N CB 1.112 39.634 38.487 0.058 0.000 1.204 68 N HN 0.307 nan 8.380 nan 0.000 0.519 69 P HA 0.405 nan 4.420 nan 0.000 0.346 69 P C -0.726 176.760 177.300 0.311 0.000 1.306 69 P CA -0.052 63.168 63.100 0.201 0.000 0.778 69 P CB 0.431 32.235 31.700 0.173 0.000 1.710 70 H N -2.347 116.797 119.070 0.123 0.000 2.839 70 H HA -0.151 4.405 4.556 0.000 0.000 0.298 70 H C 1.107 176.511 175.328 0.127 0.000 1.224 70 H CA 0.329 56.457 56.048 0.134 0.000 1.144 70 H CB -1.569 28.268 29.762 0.126 0.000 1.372 70 H HN 0.482 nan 8.280 nan 0.000 0.408 71 A N 0.188 123.131 122.820 0.205 0.000 1.940 71 A HA -0.152 4.168 4.320 0.000 0.000 0.219 71 A C 1.139 178.868 177.584 0.243 0.000 1.176 71 A CA 1.583 53.734 52.037 0.190 0.000 0.631 71 A CB -0.201 18.891 19.000 0.154 0.000 0.814 71 A HN 0.507 nan 8.150 nan 0.000 0.446 72 H N -1.000 118.161 119.070 0.153 0.000 2.517 72 H HA 0.542 5.098 4.556 0.000 0.000 0.317 72 H C 0.184 175.646 175.328 0.224 0.000 1.080 72 H CA 0.345 56.499 56.048 0.177 0.000 1.301 72 H CB 0.680 30.526 29.762 0.139 0.000 1.425 72 H HN 0.406 nan 8.280 nan 0.000 0.471 73 G N 2.032 110.717 108.800 -0.191 0.000 2.559 73 G HA2 0.476 4.436 3.960 0.000 0.000 0.291 73 G HA3 0.476 4.436 3.960 0.000 0.000 0.291 73 G C -1.580 173.403 174.900 0.139 0.000 1.424 73 G CA -0.715 44.367 45.100 -0.029 0.000 0.786 73 G HN 0.634 nan 8.290 nan 0.000 0.485 74 S N -1.864 113.926 115.700 0.150 0.000 2.632 74 S HA 0.945 5.415 4.470 0.000 0.000 0.289 74 S C -0.048 174.614 174.600 0.103 0.000 1.115 74 S CA -0.132 58.239 58.200 0.285 0.000 0.889 74 S CB 2.026 65.438 63.200 0.354 0.000 1.116 74 S HN 1.563 nan 8.310 nan 0.000 0.486 75 G N -0.315 108.554 108.800 0.115 0.000 2.690 75 G HA2 0.818 4.778 3.960 0.000 0.000 0.291 75 G HA3 0.818 4.778 3.960 0.000 0.000 0.291 75 G C -1.746 173.134 174.900 -0.033 0.000 1.403 75 G CA -0.392 44.651 45.100 -0.095 0.000 0.864 75 G HN 1.037 nan 8.290 nan 0.000 0.480 76 A N -0.373 122.335 122.820 -0.186 0.000 2.605 76 A HA 0.773 5.093 4.320 0.000 0.000 0.294 76 A C -1.733 175.699 177.584 -0.254 0.000 1.062 76 A CA -0.723 51.255 52.037 -0.098 0.000 0.682 76 A CB 0.917 19.965 19.000 0.080 0.000 1.278 76 A HN 0.676 nan 8.150 nan 0.000 0.410 77 F N 0.580 120.547 119.950 0.029 0.000 2.399 77 F HA 0.757 5.284 4.527 -0.000 0.000 0.328 77 F C 1.217 177.035 175.800 0.031 0.000 1.084 77 F CA 1.155 59.175 58.000 0.033 0.000 1.053 77 F CB 2.234 41.258 39.000 0.040 0.000 1.209 77 F HN 1.016 nan 8.300 nan 0.000 0.502 78 G N 0.533 109.495 108.800 0.270 0.000 2.529 78 G HA2 0.479 4.439 3.960 0.000 0.000 0.238 78 G HA3 0.479 4.439 3.960 0.000 0.000 0.238 78 G C -2.118 172.960 174.900 0.296 0.000 1.207 78 G CA -0.510 44.703 45.100 0.187 0.000 0.928 78 G HN 0.682 nan 8.290 nan 0.000 0.495 79 Y N -1.690 118.715 120.300 0.175 0.000 2.609 79 Y HA 0.797 5.347 4.550 0.000 0.000 0.336 79 Y C -1.647 174.425 175.900 0.286 0.000 1.129 79 Y CA -2.063 56.166 58.100 0.215 0.000 1.040 79 Y CB 1.535 40.084 38.460 0.147 0.000 1.310 79 Y HN 0.709 nan 8.280 nan 0.000 0.460 80 F N 2.337 122.487 119.950 0.335 0.000 2.422 80 F HA 0.633 5.160 4.527 -0.000 0.000 0.333 80 F C -0.558 175.442 175.800 0.333 0.000 1.095 80 F CA -0.536 57.630 58.000 0.278 0.000 1.038 80 F CB 1.504 40.662 39.000 0.264 0.000 1.156 80 F HN 0.772 nan 8.300 nan 0.000 0.483 81 E N 4.968 124.799 120.200 -0.616 0.000 2.246 81 E HA 0.416 4.766 4.350 0.000 0.000 0.266 81 E C -1.654 174.518 176.600 -0.713 0.000 0.880 81 E CA -0.901 55.270 56.400 -0.382 0.000 0.762 81 E CB 1.978 31.694 29.700 0.027 0.000 1.180 81 E HN 0.542 nan 8.360 nan 0.000 0.416 82 V N 4.435 124.131 119.914 -0.363 0.000 2.446 82 V HA 0.030 4.150 4.120 0.000 0.000 0.276 82 V C 1.306 177.358 176.094 -0.070 0.000 1.030 82 V CA 0.837 63.065 62.300 -0.120 0.000 1.033 82 V CB 0.723 32.625 31.823 0.131 0.000 0.993 82 V HN 0.923 nan 8.190 nan 0.000 0.477 83 T N 0.253 114.772 114.554 -0.059 0.000 3.015 83 T HA 0.212 4.562 4.350 0.000 0.000 0.250 83 T C 0.194 174.897 174.700 0.005 0.000 1.057 83 T CA -0.056 62.029 62.100 -0.025 0.000 1.066 83 T CB 0.219 69.066 68.868 -0.035 0.000 0.959 83 T HN 0.614 nan 8.240 nan 0.000 0.488 84 D N 0.886 121.297 120.400 0.018 0.000 2.547 84 D HA 0.499 5.139 4.640 0.000 0.000 0.231 84 D C -1.598 174.723 176.300 0.036 0.000 1.099 84 D CA -0.668 53.348 54.000 0.026 0.000 0.901 84 D CB 1.443 42.257 40.800 0.024 0.000 1.478 84 D HN 0.058 nan 8.370 nan 0.000 0.471 85 D N 0.498 120.918 120.400 0.033 0.000 2.343 85 D HA 0.242 4.882 4.640 0.000 0.000 0.255 85 D C 0.167 176.479 176.300 0.021 0.000 1.187 85 D CA -0.122 53.898 54.000 0.034 0.000 0.875 85 D CB 0.434 41.252 40.800 0.031 0.000 1.136 85 D HN 0.478 nan 8.370 nan 0.000 0.469 86 I N 0.527 121.102 120.570 0.008 0.000 3.817 86 I HA 0.200 4.370 4.170 0.000 0.000 0.325 86 I C 1.289 177.417 176.117 0.018 0.000 1.550 86 I CA -0.469 60.826 61.300 -0.010 0.000 1.100 86 I CB 0.283 38.235 38.000 -0.080 0.000 1.216 86 I HN 0.263 nan 8.210 nan 0.000 0.481 87 T N -1.878 112.698 114.554 0.036 0.000 2.977 87 T HA -0.162 4.188 4.350 0.000 0.000 0.271 87 T C 1.299 176.022 174.700 0.039 0.000 1.105 87 T CA 1.495 63.618 62.100 0.039 0.000 1.116 87 T CB -0.620 68.265 68.868 0.029 0.000 0.878 87 T HN 0.668 nan 8.240 nan 0.000 0.509 88 D N 0.614 121.042 120.400 0.047 0.000 2.347 88 D HA -0.025 4.615 4.640 0.000 0.000 0.215 88 D C 1.630 177.994 176.300 0.106 0.000 0.976 88 D CA 0.245 54.285 54.000 0.066 0.000 0.884 88 D CB 0.029 40.861 40.800 0.053 0.000 0.915 88 D HN 0.399 nan 8.370 nan 0.000 0.526 89 I N 0.229 120.862 120.570 0.105 0.000 3.039 89 I HA 0.086 4.256 4.170 0.000 0.000 0.270 89 I C 0.902 177.197 176.117 0.297 0.000 1.150 89 I CA 0.182 61.587 61.300 0.175 0.000 1.448 89 I CB 0.006 38.068 38.000 0.103 0.000 1.197 89 I HN 0.112 nan 8.210 nan 0.000 0.450 90 C N 1.065 120.496 119.300 0.218 0.000 2.481 90 C HA 0.699 5.159 4.460 0.000 0.000 0.324 90 C C 1.332 176.346 174.990 0.040 0.000 1.170 90 C CA -0.464 58.678 59.018 0.207 0.000 1.361 90 C CB 0.671 28.541 27.740 0.216 0.000 1.977 90 C HN 0.599 nan 8.230 nan 0.000 0.459 91 G N 3.322 111.988 108.800 -0.223 0.000 3.141 91 G HA2 0.155 4.115 3.960 0.000 0.000 0.218 91 G HA3 0.155 4.115 3.960 0.000 0.000 0.218 91 G C 0.552 175.166 174.900 -0.476 0.000 1.170 91 G CA 0.181 44.890 45.100 -0.652 0.000 0.769 91 G HN 0.744 nan 8.290 nan 0.000 0.546 92 S N 0.391 116.049 115.700 -0.069 0.000 2.549 92 S HA 0.329 4.799 4.470 0.000 0.000 0.286 92 S C 1.770 176.300 174.600 -0.117 0.000 1.314 92 S CA 0.086 58.271 58.200 -0.026 0.000 1.062 92 S CB 1.497 64.552 63.200 -0.241 0.000 0.865 92 S HN 0.446 nan 8.310 nan 0.000 0.498 93 A N 3.964 126.726 122.820 -0.097 0.000 1.978 93 A HA -0.197 4.123 4.320 0.000 0.000 0.220 93 A C 2.050 179.543 177.584 -0.152 0.000 1.170 93 A CA 1.899 53.881 52.037 -0.092 0.000 0.636 93 A CB -0.826 18.136 19.000 -0.065 0.000 0.810 93 A HN 0.959 nan 8.150 nan 0.000 0.448 94 M N -3.210 116.186 119.600 -0.339 0.000 2.374 94 M HA 0.033 4.513 4.480 0.000 0.000 0.264 94 M C 0.947 177.103 176.300 -0.240 0.000 1.067 94 M CA 1.651 56.715 55.300 -0.394 0.000 1.103 94 M CB -0.466 31.689 32.600 -0.742 0.000 1.402 94 M HN 0.164 nan 8.290 nan 0.000 0.444 95 F N 1.173 121.099 119.950 -0.040 0.000 2.749 95 F HA 0.238 4.765 4.527 0.000 0.000 0.300 95 F C 2.624 178.432 175.800 0.013 0.000 1.103 95 F CA 0.100 58.114 58.000 0.024 0.000 1.342 95 F CB -0.846 38.148 39.000 -0.009 0.000 1.098 95 F HN 0.351 nan 8.300 nan 0.000 0.586 96 S N -0.090 115.684 115.700 0.123 0.000 2.402 96 S HA -0.154 4.316 4.470 0.000 0.000 0.233 96 S C 0.647 175.287 174.600 0.066 0.000 1.030 96 S CA 0.890 59.132 58.200 0.070 0.000 1.003 96 S CB -0.424 62.789 63.200 0.022 0.000 0.813 96 S HN 0.309 nan 8.310 nan 0.000 0.477 97 K N -0.004 120.440 120.400 0.074 0.000 2.469 97 K HA 0.571 4.891 4.320 0.000 0.000 0.254 97 K C -1.133 175.505 176.600 0.063 0.000 0.939 97 K CA -0.594 55.726 56.287 0.055 0.000 0.812 97 K CB 2.106 34.626 32.500 0.035 0.000 1.301 97 K HN 0.082 nan 8.250 nan 0.000 0.433 98 I N 1.955 122.554 120.570 0.047 0.000 2.556 98 I HA 0.103 4.273 4.170 0.000 0.000 0.284 98 I C 1.173 177.304 176.117 0.023 0.000 1.114 98 I CA 1.009 62.332 61.300 0.037 0.000 1.418 98 I CB 0.665 38.683 38.000 0.029 0.000 1.394 98 I HN 1.043 nan 8.210 nan 0.000 0.552 99 G N 4.729 113.536 108.800 0.012 0.000 2.194 99 G HA2 -0.272 3.688 3.960 0.000 0.000 0.236 99 G HA3 -0.272 3.688 3.960 0.000 0.000 0.236 99 G C 0.363 175.263 174.900 -0.000 0.000 0.987 99 G CA -0.227 44.874 45.100 0.001 0.000 0.635 99 G HN 0.617 nan 8.290 nan 0.000 0.520 100 K N 1.203 121.615 120.400 0.020 0.000 2.379 100 K HA 0.467 4.787 4.320 0.000 0.000 0.284 100 K C 0.509 177.137 176.600 0.046 0.000 1.044 100 K CA -0.337 55.969 56.287 0.031 0.000 0.974 100 K CB 0.219 32.749 32.500 0.050 0.000 0.962 100 K HN 0.334 nan 8.250 nan 0.000 0.474 101 R N 2.418 122.943 120.500 0.040 0.000 2.407 101 R HA 0.293 4.633 4.340 0.000 0.000 0.303 101 R C -0.779 175.606 176.300 0.142 0.000 0.981 101 R CA -0.611 55.544 56.100 0.093 0.000 0.905 101 R CB 2.022 32.309 30.300 -0.023 0.000 1.099 101 R HN 0.527 nan 8.270 nan 0.000 0.459 102 T N 2.542 117.253 114.554 0.260 0.000 2.812 102 T HA 0.205 4.555 4.350 0.000 0.000 0.282 102 T C -0.487 174.432 174.700 0.364 0.000 0.990 102 T CA -0.759 61.493 62.100 0.254 0.000 0.960 102 T CB 1.560 70.548 68.868 0.200 0.000 0.948 102 T HN 0.375 nan 8.240 nan 0.000 0.438 103 K N 1.994 122.605 120.400 0.351 0.000 2.355 103 K HA 0.429 4.749 4.320 0.000 0.000 0.270 103 K C -0.036 176.851 176.600 0.477 0.000 1.003 103 K CA -0.449 56.095 56.287 0.428 0.000 0.957 103 K CB 0.139 32.898 32.500 0.431 0.000 0.939 103 K HN 0.863 nan 8.250 nan 0.000 0.482 104 C N 2.636 122.163 119.300 0.378 0.000 3.236 104 C HA 0.806 5.266 4.460 0.000 0.000 0.312 104 C C -1.370 173.717 174.990 0.161 0.000 1.374 104 C CA -1.384 57.696 59.018 0.103 0.000 1.455 104 C CB 0.577 28.185 27.740 -0.221 0.000 1.834 104 C HN 0.821 nan 8.230 nan 0.000 0.460 105 L N 1.452 122.615 121.223 -0.100 0.000 2.409 105 L HA 0.775 5.115 4.340 0.000 0.000 0.272 105 L C -0.333 176.368 176.870 -0.281 0.000 0.980 105 L CA 0.227 54.922 54.840 -0.242 0.000 0.826 105 L CB 2.075 43.983 42.059 -0.253 0.000 1.268 105 L HN 1.002 nan 8.230 nan 0.000 0.407 106 T N 4.771 119.081 114.554 -0.406 0.000 2.829 106 T HA 0.564 4.914 4.350 0.000 0.000 0.280 106 T C -0.766 173.517 174.700 -0.696 0.000 0.999 106 T CA -0.483 61.255 62.100 -0.603 0.000 0.983 106 T CB 1.427 69.816 68.868 -0.799 0.000 0.968 106 T HN 0.607 nan 8.240 nan 0.000 0.446 107 R N 2.442 122.454 120.500 -0.813 0.000 2.439 107 R HA 0.556 4.896 4.340 0.000 0.000 0.310 107 R C -1.394 174.437 176.300 -0.781 0.000 0.955 107 R CA -0.580 55.124 56.100 -0.659 0.000 0.853 107 R CB 0.632 30.688 30.300 -0.407 0.000 1.171 107 R HN 0.427 nan 8.270 nan 0.000 0.449 108 F N 1.704 121.337 119.950 -0.529 0.000 2.399 108 F HA 0.533 5.060 4.527 0.000 0.000 0.328 108 F C 0.582 176.102 175.800 -0.467 0.000 1.084 108 F CA -0.064 57.506 58.000 -0.717 0.000 1.053 108 F CB 1.990 40.093 39.000 -1.495 0.000 1.209 108 F HN 0.627 nan 8.300 nan 0.000 0.502 109 S N -1.226 114.470 115.700 -0.008 0.000 2.615 109 S HA 0.658 5.128 4.470 0.000 0.000 0.268 109 S C -0.649 174.127 174.600 0.293 0.000 1.146 109 S CA -0.731 57.578 58.200 0.181 0.000 0.818 109 S CB 1.261 64.600 63.200 0.232 0.000 1.111 109 S HN 0.747 nan 8.310 nan 0.000 0.465 110 T N -1.546 113.163 114.554 0.258 0.000 2.902 110 T HA 0.758 5.108 4.350 0.000 0.000 0.287 110 T C 0.758 175.413 174.700 -0.075 0.000 1.048 110 T CA -0.050 62.152 62.100 0.170 0.000 0.941 110 T CB 0.460 69.456 68.868 0.214 0.000 1.432 110 T HN 0.718 nan 8.240 nan 0.000 0.586 111 V N -0.504 119.331 119.914 -0.132 0.000 3.054 111 V HA 0.342 4.462 4.120 0.000 0.000 0.227 111 V C 2.630 178.646 176.094 -0.131 0.000 1.252 111 V CA 0.858 62.963 62.300 -0.326 0.000 1.279 111 V CB -0.745 30.964 31.823 -0.190 0.000 1.118 111 V HN 1.012 nan 8.190 nan 0.000 0.504 112 G N 0.265 109.015 108.800 -0.083 0.000 2.494 112 G HA2 0.158 4.118 3.960 0.000 0.000 0.216 112 G HA3 0.158 4.118 3.960 0.000 0.000 0.216 112 G C 0.873 175.746 174.900 -0.044 0.000 1.140 112 G CA 0.727 45.770 45.100 -0.094 0.000 0.801 112 G HN 0.601 nan 8.290 nan 0.000 0.536 113 G N 0.251 109.048 108.800 -0.005 0.000 2.527 113 G HA2 0.405 4.365 3.960 0.000 0.000 0.248 113 G HA3 0.405 4.365 3.960 0.000 0.000 0.248 113 G C -0.443 174.475 174.900 0.030 0.000 1.231 113 G CA -0.383 44.718 45.100 0.003 0.000 0.838 113 G HN 0.103 nan 8.290 nan 0.000 0.570 114 D N -0.091 120.316 120.400 0.012 0.000 2.380 114 D HA 0.041 4.681 4.640 0.000 0.000 0.254 114 D C 1.498 177.838 176.300 0.067 0.000 1.288 114 D CA -0.335 53.687 54.000 0.037 0.000 1.008 114 D CB 0.810 41.619 40.800 0.015 0.000 1.099 114 D HN 0.459 nan 8.370 nan 0.000 0.537 115 K N -0.060 120.399 120.400 0.098 0.000 2.097 115 K HA -0.092 4.228 4.320 0.000 0.000 0.206 115 K C 1.542 178.214 176.600 0.120 0.000 1.049 115 K CA 1.340 57.729 56.287 0.169 0.000 0.933 115 K CB -0.306 32.287 32.500 0.156 0.000 0.717 115 K HN 0.448 nan 8.250 nan 0.000 0.442 116 G N 0.686 109.491 108.800 0.008 0.000 3.141 116 G HA2 -0.007 3.953 3.960 0.000 0.000 0.218 116 G HA3 -0.007 3.953 3.960 0.000 0.000 0.218 116 G C 0.120 174.904 174.900 -0.193 0.000 1.170 116 G CA 0.076 45.143 45.100 -0.056 0.000 0.769 116 G HN 0.375 nan 8.290 nan 0.000 0.546 117 S N -0.065 115.457 115.700 -0.297 0.000 2.600 117 S HA 0.639 5.109 4.470 0.000 0.000 0.265 117 S C 0.583 174.912 174.600 -0.453 0.000 1.325 117 S CA -0.108 57.916 58.200 -0.293 0.000 1.002 117 S CB 1.530 64.623 63.200 -0.179 0.000 0.921 117 S HN 0.588 nan 8.310 nan 0.000 0.554 118 A N 0.779 123.481 122.820 -0.197 0.000 2.386 118 A HA 0.314 4.634 4.320 0.000 0.000 0.248 118 A C 0.855 178.449 177.584 0.016 0.000 1.082 118 A CA -0.498 51.487 52.037 -0.087 0.000 0.789 118 A CB -0.153 18.828 19.000 -0.031 0.000 1.025 118 A HN 0.896 nan 8.150 nan 0.000 0.490 119 D N 0.509 120.990 120.400 0.136 0.000 2.123 119 D HA -0.071 4.569 4.640 0.000 0.000 0.200 119 D C 1.340 177.698 176.300 0.096 0.000 0.976 119 D CA 2.194 56.310 54.000 0.193 0.000 0.831 119 D CB -0.291 40.613 40.800 0.172 0.000 0.974 119 D HN 0.688 nan 8.370 nan 0.000 0.469 120 T N 0.069 114.656 114.554 0.055 0.000 4.058 120 T HA 0.385 4.735 4.350 0.000 0.000 0.252 120 T C 0.399 175.105 174.700 0.011 0.000 1.264 120 T CA -0.626 61.483 62.100 0.014 0.000 1.094 120 T CB -0.730 68.106 68.868 -0.052 0.000 1.316 120 T HN -0.086 nan 8.240 nan 0.000 0.872 121 V N -0.730 119.203 119.914 0.033 0.000 3.103 121 V HA 0.690 4.810 4.120 0.000 0.000 0.318 121 V C 0.159 176.271 176.094 0.030 0.000 1.114 121 V CA -1.986 60.330 62.300 0.027 0.000 1.020 121 V CB 1.649 33.488 31.823 0.027 0.000 1.085 121 V HN 0.589 nan 8.190 nan 0.000 0.446 122 R N 1.209 121.716 120.500 0.011 0.000 2.216 122 R HA 0.576 4.916 4.340 0.000 0.000 0.332 122 R C -1.188 175.107 176.300 -0.008 0.000 1.056 122 R CA 0.133 56.218 56.100 -0.024 0.000 0.901 122 R CB 0.163 30.402 30.300 -0.101 0.000 1.039 122 R HN 0.994 nan 8.270 nan 0.000 0.456 123 D N 3.718 124.137 120.400 0.031 0.000 2.694 123 D HA 0.282 4.922 4.640 0.000 0.000 0.260 123 D C -2.851 173.531 176.300 0.137 0.000 1.250 123 D CA -1.456 52.595 54.000 0.086 0.000 0.763 123 D CB 2.179 43.032 40.800 0.088 0.000 1.311 123 D HN 0.271 nan 8.370 nan 0.000 0.420 124 P HA 0.263 nan 4.420 nan 0.000 0.269 124 P C -0.562 176.890 177.300 0.252 0.000 1.215 124 P CA -0.335 62.919 63.100 0.255 0.000 0.780 124 P CB 0.537 32.463 31.700 0.377 0.000 0.898 125 R N 1.287 121.966 120.500 0.299 0.000 2.460 125 R HA 0.549 4.889 4.340 0.000 0.000 0.303 125 R C 0.544 177.077 176.300 0.387 0.000 0.968 125 R CA -0.641 55.664 56.100 0.342 0.000 0.889 125 R CB 1.271 31.804 30.300 0.390 0.000 1.123 125 R HN 0.606 nan 8.270 nan 0.000 0.455 126 G N 1.117 110.165 108.800 0.412 0.000 2.503 126 G HA2 0.365 4.325 3.960 0.000 0.000 0.257 126 G HA3 0.365 4.325 3.960 0.000 0.000 0.257 126 G C -1.071 173.981 174.900 0.254 0.000 1.214 126 G CA -0.009 45.306 45.100 0.358 0.000 0.839 126 G HN 0.401 nan 8.290 nan 0.000 0.559 127 F N 1.663 121.601 119.950 -0.020 0.000 3.050 127 F HA 0.585 5.112 4.527 -0.000 0.000 0.382 127 F C -0.078 175.509 175.800 -0.355 0.000 1.246 127 F CA -1.779 56.122 58.000 -0.165 0.000 1.217 127 F CB 0.754 39.777 39.000 0.038 0.000 1.795 127 F HN 0.651 nan 8.300 nan 0.000 0.622 128 A N 3.004 125.608 122.820 -0.360 0.000 2.260 128 A HA 0.762 5.082 4.320 0.000 0.000 0.314 128 A C -0.318 176.789 177.584 -0.796 0.000 1.257 128 A CA -0.267 51.355 52.037 -0.693 0.000 0.871 128 A CB 0.518 18.779 19.000 -1.231 0.000 1.166 128 A HN 0.480 nan 8.150 nan 0.000 0.522 129 T N 2.266 116.506 114.554 -0.524 0.000 2.841 129 T HA 0.468 4.818 4.350 0.000 0.000 0.283 129 T C -0.364 174.012 174.700 -0.540 0.000 1.000 129 T CA -0.568 61.201 62.100 -0.552 0.000 0.977 129 T CB 1.367 69.818 68.868 -0.695 0.000 0.979 129 T HN 0.646 nan 8.240 nan 0.000 0.446 130 K N 2.832 122.937 120.400 -0.492 0.000 2.307 130 K HA 0.553 4.873 4.320 0.000 0.000 0.263 130 K C -1.507 174.535 176.600 -0.930 0.000 0.973 130 K CA -0.648 55.284 56.287 -0.592 0.000 0.846 130 K CB 0.609 32.786 32.500 -0.538 0.000 1.100 130 K HN 0.424 nan 8.250 nan 0.000 0.438 131 F N 3.604 123.205 119.950 -0.581 0.000 2.458 131 F HA 0.310 4.837 4.527 -0.000 0.000 0.336 131 F C -0.568 174.902 175.800 -0.551 0.000 1.114 131 F CA -0.813 56.879 58.000 -0.514 0.000 0.987 131 F CB 0.982 39.653 39.000 -0.547 0.000 1.130 131 F HN 0.400 nan 8.300 nan 0.000 0.458 132 Y N 1.477 121.751 120.300 -0.045 0.000 2.751 132 Y HA 0.304 4.854 4.550 -0.000 0.000 0.333 132 Y C 0.850 176.598 175.900 -0.253 0.000 1.122 132 Y CA -0.891 57.074 58.100 -0.224 0.000 1.367 132 Y CB 0.099 38.315 38.460 -0.406 0.000 1.242 132 Y HN 0.586 nan 8.280 nan 0.000 0.505 133 T N -2.385 112.099 114.554 -0.117 0.000 2.912 133 T HA 0.236 4.586 4.350 0.000 0.000 0.280 133 T C 0.977 175.603 174.700 -0.125 0.000 0.989 133 T CA -0.728 61.290 62.100 -0.137 0.000 0.995 133 T CB 1.165 69.909 68.868 -0.206 0.000 1.077 133 T HN 0.614 nan 8.240 nan 0.000 0.531 134 E N 0.019 120.159 120.200 -0.101 0.000 2.333 134 E HA -0.070 4.280 4.350 0.000 0.000 0.198 134 E C 1.017 177.585 176.600 -0.053 0.000 1.007 134 E CA 0.902 57.260 56.400 -0.069 0.000 0.845 134 E CB 0.036 29.707 29.700 -0.048 0.000 0.766 134 E HN 0.735 nan 8.360 nan 0.000 0.507 135 E N 0.083 120.242 120.200 -0.068 0.000 2.585 135 E HA 0.265 4.615 4.350 0.000 0.000 0.206 135 E C 0.158 176.727 176.600 -0.053 0.000 1.007 135 E CA -0.120 56.251 56.400 -0.049 0.000 1.028 135 E CB 1.085 30.756 29.700 -0.048 0.000 1.087 135 E HN 0.219 nan 8.360 nan 0.000 0.455 136 G N 1.311 110.077 108.800 -0.057 0.000 2.592 136 G HA2 -0.197 3.763 3.960 0.000 0.000 0.684 136 G HA3 -0.197 3.763 3.960 0.000 0.000 0.684 136 G C -0.792 174.052 174.900 -0.092 0.000 1.291 136 G CA -1.100 43.971 45.100 -0.049 0.000 0.891 136 G HN 0.116 nan 8.290 nan 0.000 0.544 137 N N -0.493 118.153 118.700 -0.090 0.000 2.525 137 N HA 0.552 5.292 4.740 0.000 0.000 0.271 137 N C -0.051 175.372 175.510 -0.144 0.000 1.194 137 N CA -0.198 52.756 53.050 -0.159 0.000 0.964 137 N CB 1.282 39.662 38.487 -0.179 0.000 1.126 137 N HN 0.631 nan 8.380 nan 0.000 0.452 138 L N 1.422 122.543 121.223 -0.170 0.000 2.376 138 L HA 0.375 4.715 4.340 0.000 0.000 0.275 138 L C -1.313 175.504 176.870 -0.090 0.000 0.987 138 L CA -0.678 54.086 54.840 -0.127 0.000 0.828 138 L CB 1.438 43.350 42.059 -0.246 0.000 1.249 138 L HN 0.356 nan 8.230 nan 0.000 0.409 139 D N 4.259 124.646 120.400 -0.021 0.000 2.344 139 D HA 0.261 4.901 4.640 0.000 0.000 0.239 139 D C -1.046 175.344 176.300 0.150 0.000 1.064 139 D CA 0.001 54.012 54.000 0.018 0.000 0.829 139 D CB 1.505 42.349 40.800 0.074 0.000 1.129 139 D HN 0.289 nan 8.370 nan 0.000 0.506 140 W N 2.669 123.837 121.300 -0.219 0.000 2.289 140 W HA 0.266 4.926 4.660 0.000 0.000 0.342 140 W C -0.378 175.776 176.519 -0.609 0.000 0.958 140 W CA -0.882 56.131 57.345 -0.554 0.000 1.492 140 W CB 0.540 29.477 29.460 -0.873 0.000 1.336 140 W HN 0.013 nan 8.180 nan 0.000 0.371 141 V N 6.446 126.335 119.914 -0.041 0.000 2.267 141 V HA 0.110 4.230 4.120 0.000 0.000 0.254 141 V C -0.224 175.998 176.094 0.212 0.000 1.144 141 V CA -0.448 61.832 62.300 -0.033 0.000 0.992 141 V CB -0.896 30.863 31.823 -0.106 0.000 1.199 141 V HN 0.109 nan 8.190 nan 0.000 0.493 142 Y N 1.875 122.129 120.300 -0.078 0.000 2.567 142 Y HA 0.590 5.140 4.550 0.000 0.000 0.333 142 Y C 0.535 176.447 175.900 0.019 0.000 1.106 142 Y CA -2.116 55.942 58.100 -0.069 0.000 1.157 142 Y CB 1.507 39.873 38.460 -0.156 0.000 1.277 142 Y HN 0.410 nan 8.280 nan 0.000 0.490 143 N N 0.050 118.874 118.700 0.206 0.000 2.525 143 N HA 0.151 4.891 4.740 0.000 0.000 0.288 143 N C 0.242 175.959 175.510 0.345 0.000 1.242 143 N CA -0.596 52.616 53.050 0.269 0.000 0.905 143 N CB 0.677 39.298 38.487 0.223 0.000 1.258 143 N HN 0.723 nan 8.380 nan 0.000 0.551 144 N N -1.971 116.966 118.700 0.396 0.000 2.362 144 N HA -0.022 4.718 4.740 0.000 0.000 0.204 144 N C -0.398 175.399 175.510 0.477 0.000 1.166 144 N CA -0.117 53.222 53.050 0.481 0.000 0.831 144 N CB 0.396 39.144 38.487 0.435 0.000 1.008 144 N HN 0.237 nan 8.380 nan 0.000 0.472 145 T N 0.260 114.972 114.554 0.264 0.000 2.861 145 T HA 0.311 4.661 4.350 0.000 0.000 0.287 145 T C -2.013 172.372 174.700 -0.525 0.000 1.003 145 T CA -2.186 59.841 62.100 -0.121 0.000 0.977 145 T CB 1.830 70.651 68.868 -0.079 0.000 0.996 145 T HN -0.108 nan 8.240 nan 0.000 0.448 146 P HA 0.019 nan 4.420 nan 0.000 0.222 146 P C 0.607 177.566 177.300 -0.569 0.000 1.147 146 P CA 0.789 63.285 63.100 -1.006 0.000 0.790 146 P CB -0.040 31.070 31.700 -0.983 0.000 0.780 147 V N -5.281 114.338 119.914 -0.492 0.000 3.105 147 V HA 0.764 4.884 4.120 0.000 0.000 0.311 147 V C -0.823 175.147 176.094 -0.206 0.000 1.282 147 V CA -1.136 60.930 62.300 -0.389 0.000 1.065 147 V CB 1.851 33.353 31.823 -0.536 0.000 1.136 147 V HN -0.106 nan 8.190 nan 0.000 0.469 148 F N -1.422 118.294 119.950 -0.389 0.000 2.715 148 F HA 0.694 5.221 4.527 0.000 0.000 0.318 148 F C 0.299 175.887 175.800 -0.354 0.000 1.141 148 F CA -1.482 56.315 58.000 -0.338 0.000 0.950 148 F CB 1.759 40.683 39.000 -0.128 0.000 1.374 148 F HN 0.434 nan 8.300 nan 0.000 0.477 149 F N 2.097 121.518 119.950 -0.881 0.000 2.365 149 F HA 0.090 4.617 4.527 -0.000 0.000 0.300 149 F C 0.747 176.257 175.800 -0.484 0.000 1.090 149 F CA 0.909 58.431 58.000 -0.795 0.000 1.408 149 F CB -0.426 37.720 39.000 -1.423 0.000 1.060 149 F HN 0.156 nan 8.300 nan 0.000 0.534 150 I N -1.926 118.601 120.570 -0.071 0.000 2.934 150 I HA 0.510 4.680 4.170 0.000 0.000 0.306 150 I C 0.513 176.686 176.117 0.093 0.000 1.110 150 I CA -1.073 60.251 61.300 0.040 0.000 1.019 150 I CB 2.428 40.517 38.000 0.148 0.000 1.227 150 I HN -0.021 nan 8.210 nan 0.000 0.434 151 R N 0.608 121.136 120.500 0.046 0.000 2.549 151 R HA 0.430 4.770 4.340 0.000 0.000 0.344 151 R C -1.090 175.356 176.300 0.243 0.000 0.979 151 R CA -0.419 55.727 56.100 0.075 0.000 1.140 151 R CB 0.320 30.472 30.300 -0.247 0.000 1.377 151 R HN 0.585 nan 8.270 nan 0.000 0.541 152 D N 2.817 123.345 120.400 0.212 0.000 2.408 152 D HA 0.179 4.819 4.640 0.000 0.000 0.243 152 D C -1.832 174.583 176.300 0.192 0.000 1.075 152 D CA -1.722 52.411 54.000 0.221 0.000 0.832 152 D CB 2.637 43.541 40.800 0.173 0.000 1.162 152 D HN -0.077 nan 8.370 nan 0.000 0.515 153 P HA -0.163 nan 4.420 nan 0.000 0.217 153 P C 1.294 178.702 177.300 0.179 0.000 1.150 153 P CA 0.943 64.137 63.100 0.157 0.000 0.832 153 P CB 0.287 32.045 31.700 0.096 0.000 0.787 154 S N -0.151 115.626 115.700 0.128 0.000 2.442 154 S HA -0.114 4.356 4.470 0.000 0.000 0.236 154 S C 1.999 176.691 174.600 0.154 0.000 1.007 154 S CA 1.080 59.350 58.200 0.116 0.000 0.965 154 S CB -0.793 62.428 63.200 0.036 0.000 0.773 154 S HN 0.083 nan 8.310 nan 0.000 0.504 155 K N 0.302 120.796 120.400 0.157 0.000 2.366 155 K HA 0.249 4.569 4.320 0.000 0.000 0.198 155 K C 1.409 178.185 176.600 0.293 0.000 1.044 155 K CA 0.289 56.690 56.287 0.190 0.000 0.973 155 K CB -0.404 32.218 32.500 0.205 0.000 0.767 155 K HN 0.378 nan 8.250 nan 0.000 0.475 156 F N 1.719 121.765 119.950 0.160 0.000 2.102 156 F HA -0.068 4.459 4.527 0.000 0.000 0.298 156 F C -1.250 174.560 175.800 0.016 0.000 1.105 156 F CA 0.931 59.023 58.000 0.154 0.000 1.239 156 F CB -0.825 38.275 39.000 0.166 0.000 0.991 156 F HN 0.056 nan 8.300 nan 0.000 0.474 157 P HA -0.204 nan 4.420 nan 0.000 0.216 157 P C 1.486 178.302 177.300 -0.806 0.000 1.153 157 P CA 2.076 64.913 63.100 -0.439 0.000 0.858 157 P CB -0.304 31.250 31.700 -0.243 0.000 0.789 158 H N -2.440 116.368 119.070 -0.437 0.000 2.321 158 H HA -0.129 4.427 4.556 -0.000 0.000 0.300 158 H C 2.040 176.965 175.328 -0.671 0.000 1.087 158 H CA 1.344 57.170 56.048 -0.369 0.000 1.319 158 H CB -0.834 28.896 29.762 -0.054 0.000 1.379 158 H HN 0.130 nan 8.280 nan 0.000 0.501 159 F N 1.911 121.360 119.950 -0.835 0.000 2.075 159 F HA -0.181 4.346 4.527 -0.000 0.000 0.297 159 F C 2.306 177.572 175.800 -0.891 0.000 1.113 159 F CA 0.914 58.159 58.000 -1.258 0.000 1.218 159 F CB -0.458 37.982 39.000 -0.932 0.000 0.984 159 F HN -0.050 nan 8.300 nan 0.000 0.472 160 I N 0.260 120.185 120.570 -1.075 0.000 2.361 160 I HA -0.278 3.892 4.170 0.000 0.000 0.251 160 I C 2.415 178.173 176.117 -0.598 0.000 1.133 160 I CA 1.475 62.203 61.300 -0.953 0.000 1.413 160 I CB -1.793 35.717 38.000 -0.817 0.000 1.073 160 I HN 0.355 nan 8.210 nan 0.000 0.424 161 H N 0.549 119.295 119.070 -0.541 0.000 2.353 161 H HA -0.142 4.414 4.556 -0.000 0.000 0.300 161 H C 2.244 177.340 175.328 -0.386 0.000 1.090 161 H CA 1.859 57.678 56.048 -0.381 0.000 1.327 161 H CB 0.075 29.657 29.762 -0.301 0.000 1.383 161 H HN 0.414 nan 8.280 nan 0.000 0.508 162 T N -0.967 113.355 114.554 -0.386 0.000 3.035 162 T HA -0.094 4.256 4.350 0.000 0.000 0.268 162 T C 1.740 176.199 174.700 -0.402 0.000 1.109 162 T CA 0.602 62.493 62.100 -0.349 0.000 1.119 162 T CB 0.102 68.740 68.868 -0.383 0.000 0.900 162 T HN 0.248 nan 8.240 nan 0.000 0.503 163 Q N 0.665 120.080 119.800 -0.642 0.000 2.331 163 Q HA 0.230 4.570 4.340 0.000 0.000 0.203 163 Q C 1.443 177.298 176.000 -0.243 0.000 0.944 163 Q CA 0.688 56.178 55.803 -0.521 0.000 0.892 163 Q CB 0.181 28.424 28.738 -0.825 0.000 0.983 163 Q HN 0.635 nan 8.270 nan 0.000 0.482 164 K N 0.374 120.638 120.400 -0.227 0.000 3.844 164 K HA 0.284 4.604 4.320 0.000 0.000 0.187 164 K C 0.316 176.863 176.600 -0.089 0.000 1.145 164 K CA -0.325 55.881 56.287 -0.135 0.000 1.712 164 K CB 0.410 32.830 32.500 -0.134 0.000 2.385 164 K HN -0.131 nan 8.250 nan 0.000 0.570 165 R N 1.345 121.792 120.500 -0.087 0.000 2.711 165 R HA 0.202 4.542 4.340 0.000 0.000 0.284 165 R C -0.462 175.793 176.300 -0.075 0.000 0.968 165 R CA -0.847 55.213 56.100 -0.066 0.000 0.924 165 R CB 1.128 31.393 30.300 -0.059 0.000 1.162 165 R HN 0.415 nan 8.270 nan 0.000 0.465 166 N N 3.628 122.296 118.700 -0.053 0.000 2.412 166 N HA -0.033 4.707 4.740 0.000 0.000 0.258 166 N C -1.472 174.000 175.510 -0.063 0.000 1.236 166 N CA -0.914 52.106 53.050 -0.050 0.000 0.882 166 N CB 0.927 39.397 38.487 -0.029 0.000 1.066 166 N HN 0.382 nan 8.380 nan 0.000 0.465 167 P HA -0.186 nan 4.420 nan 0.000 0.219 167 P C 0.893 178.158 177.300 -0.058 0.000 1.146 167 P CA 1.441 64.491 63.100 -0.084 0.000 0.808 167 P CB 0.450 32.094 31.700 -0.094 0.000 0.779 168 Q N -0.044 119.731 119.800 -0.043 0.000 2.263 168 Q HA -0.039 4.301 4.340 0.000 0.000 0.196 168 Q C 2.216 178.198 176.000 -0.028 0.000 0.965 168 Q CA 1.664 57.448 55.803 -0.032 0.000 0.851 168 Q CB -0.299 28.425 28.738 -0.024 0.000 0.948 168 Q HN 0.198 nan 8.270 nan 0.000 0.516 169 T N -1.462 113.076 114.554 -0.026 0.000 3.055 169 T HA -0.065 4.285 4.350 0.000 0.000 0.265 169 T C 0.901 175.585 174.700 -0.026 0.000 1.111 169 T CA 0.845 62.931 62.100 -0.023 0.000 1.118 169 T CB -0.299 68.558 68.868 -0.019 0.000 0.909 169 T HN 0.597 nan 8.240 nan 0.000 0.501 170 N N 0.479 119.159 118.700 -0.033 0.000 2.714 170 N HA -0.143 4.597 4.740 0.000 0.000 0.250 170 N C -0.901 174.589 175.510 -0.033 0.000 1.117 170 N CA 0.277 53.305 53.050 -0.036 0.000 0.719 170 N CB -1.267 37.200 38.487 -0.032 0.000 1.081 170 N HN 0.556 nan 8.380 nan 0.000 0.557 171 L N 0.882 122.087 121.223 -0.030 0.000 2.334 171 L HA 0.483 4.823 4.340 0.000 0.000 0.272 171 L C 0.836 177.688 176.870 -0.029 0.000 1.020 171 L CA -0.847 53.976 54.840 -0.029 0.000 0.812 171 L CB 1.449 43.492 42.059 -0.026 0.000 1.264 171 L HN -0.017 nan 8.230 nan 0.000 0.439 172 R N 1.260 121.743 120.500 -0.029 0.000 2.401 172 R HA 0.106 4.446 4.340 0.000 0.000 0.299 172 R C -0.766 175.521 176.300 -0.021 0.000 1.064 172 R CA -0.247 55.840 56.100 -0.021 0.000 1.000 172 R CB 0.481 30.770 30.300 -0.019 0.000 0.973 172 R HN 0.459 nan 8.270 nan 0.000 0.438 173 D N 2.225 122.628 120.400 0.005 0.000 2.414 173 D HA 0.179 4.819 4.640 0.000 0.000 0.232 173 D C 0.510 176.853 176.300 0.071 0.000 1.070 173 D CA -0.239 53.774 54.000 0.021 0.000 0.839 173 D CB 1.738 42.552 40.800 0.023 0.000 1.079 173 D HN 0.575 nan 8.370 nan 0.000 0.521 174 A N 3.969 126.808 122.820 0.032 0.000 2.015 174 A HA -0.154 4.166 4.320 0.000 0.000 0.219 174 A C 1.528 179.285 177.584 0.289 0.000 1.163 174 A CA 1.167 53.268 52.037 0.106 0.000 0.646 174 A CB 0.008 18.999 19.000 -0.016 0.000 0.806 174 A HN 0.508 nan 8.150 nan 0.000 0.448 175 D N -0.223 120.291 120.400 0.189 0.000 2.117 175 D HA -0.123 4.517 4.640 0.000 0.000 0.198 175 D C 2.038 178.470 176.300 0.220 0.000 0.982 175 D CA 1.354 55.473 54.000 0.198 0.000 0.828 175 D CB -0.356 40.512 40.800 0.113 0.000 0.967 175 D HN 0.479 nan 8.370 nan 0.000 0.464 176 M N -0.553 119.150 119.600 0.173 0.000 2.086 176 M HA -0.110 4.370 4.480 0.000 0.000 0.261 176 M C 2.043 178.456 176.300 0.188 0.000 1.067 176 M CA 1.021 56.409 55.300 0.147 0.000 1.116 176 M CB -0.407 32.236 32.600 0.071 0.000 1.348 176 M HN -0.021 nan 8.290 nan 0.000 0.407 177 F N 0.069 120.020 119.950 0.002 0.000 2.043 177 F HA -0.262 4.265 4.527 0.000 0.000 0.297 177 F C 1.765 177.518 175.800 -0.078 0.000 1.121 177 F CA 1.903 59.830 58.000 -0.122 0.000 1.199 177 F CB -0.570 38.329 39.000 -0.169 0.000 0.968 177 F HN 0.086 nan 8.300 nan 0.000 0.478 178 W N 0.042 121.659 121.300 0.528 0.000 2.678 178 W HA -0.037 4.623 4.660 0.000 0.000 0.256 178 W C 2.194 178.833 176.519 0.201 0.000 1.280 178 W CA 0.629 58.191 57.345 0.361 0.000 1.345 178 W CB -0.389 29.235 29.460 0.275 0.000 1.118 178 W HN 0.061 nan 8.180 nan 0.000 0.629 179 D N -0.052 120.566 120.400 0.363 0.000 2.117 179 D HA -0.238 4.402 4.640 0.000 0.000 0.198 179 D C 1.819 178.235 176.300 0.192 0.000 0.982 179 D CA 1.218 55.358 54.000 0.232 0.000 0.828 179 D CB -0.349 40.562 40.800 0.185 0.000 0.967 179 D HN 0.082 nan 8.370 nan 0.000 0.464 180 F N 0.709 120.709 119.950 0.084 0.000 2.075 180 F HA -0.055 4.472 4.527 0.000 0.000 0.297 180 F C 2.008 177.838 175.800 0.049 0.000 1.113 180 F CA 1.304 59.331 58.000 0.044 0.000 1.218 180 F CB -0.300 38.699 39.000 -0.002 0.000 0.984 180 F HN -0.044 nan 8.300 nan 0.000 0.472 181 L N -0.155 121.166 121.223 0.162 0.000 2.191 181 L HA -0.166 4.174 4.340 0.000 0.000 0.212 181 L C 2.206 179.110 176.870 0.056 0.000 1.103 181 L CA 1.695 56.592 54.840 0.095 0.000 0.769 181 L CB -1.069 41.105 42.059 0.192 0.000 0.908 181 L HN 0.366 nan 8.230 nan 0.000 0.438 182 T N -5.397 109.229 114.554 0.120 0.000 3.107 182 T HA 0.045 4.395 4.350 0.000 0.000 0.249 182 T C 0.822 175.518 174.700 -0.006 0.000 1.096 182 T CA -0.220 61.922 62.100 0.069 0.000 1.012 182 T CB -0.417 68.515 68.868 0.105 0.000 0.977 182 T HN 0.005 nan 8.240 nan 0.000 0.527 183 T N 4.456 118.966 114.554 -0.072 0.000 2.853 183 T HA 0.157 4.507 4.350 0.000 0.000 0.298 183 T C -1.509 173.130 174.700 -0.101 0.000 0.978 183 T CA -0.857 61.183 62.100 -0.099 0.000 1.152 183 T CB 1.233 69.994 68.868 -0.179 0.000 0.914 183 T HN 0.076 nan 8.240 nan 0.000 0.539 184 P HA -0.213 nan 4.420 nan 0.000 0.216 184 P C 1.680 178.949 177.300 -0.052 0.000 1.157 184 P CA 1.038 64.118 63.100 -0.034 0.000 0.880 184 P CB 0.125 31.810 31.700 -0.025 0.000 0.791 185 E N -1.307 118.850 120.200 -0.072 0.000 2.409 185 E HA -0.127 4.223 4.350 0.000 0.000 0.198 185 E C 0.748 177.289 176.600 -0.098 0.000 1.024 185 E CA 1.007 57.361 56.400 -0.078 0.000 0.861 185 E CB -0.895 28.786 29.700 -0.031 0.000 0.788 185 E HN 0.303 nan 8.360 nan 0.000 0.521 186 N N 0.842 119.432 118.700 -0.182 0.000 2.236 186 N HA 0.026 4.766 4.740 0.000 0.000 0.196 186 N C 1.227 176.607 175.510 -0.217 0.000 1.114 186 N CA 0.141 53.023 53.050 -0.281 0.000 0.859 186 N CB 0.318 38.419 38.487 -0.644 0.000 0.982 186 N HN 0.303 nan 8.380 nan 0.000 0.493 187 Q N 0.218 119.927 119.800 -0.152 0.000 2.500 187 Q HA 0.023 4.363 4.340 0.000 0.000 0.213 187 Q C 1.577 177.405 176.000 -0.287 0.000 0.974 187 Q CA 0.300 56.022 55.803 -0.135 0.000 0.918 187 Q CB 0.114 28.871 28.738 0.031 0.000 0.980 187 Q HN 0.089 nan 8.270 nan 0.000 0.505 188 V N 0.635 120.381 119.914 -0.280 0.000 3.186 188 V HA -0.173 3.947 4.120 0.000 0.000 0.270 188 V C 1.777 177.692 176.094 -0.297 0.000 1.149 188 V CA 1.426 63.522 62.300 -0.340 0.000 1.160 188 V CB -0.439 31.211 31.823 -0.288 0.000 0.758 188 V HN 0.395 nan 8.190 nan 0.000 0.516 189 A N -0.339 122.343 122.820 -0.229 0.000 2.209 189 A HA -0.053 4.267 4.320 0.000 0.000 0.212 189 A C 1.939 179.420 177.584 -0.172 0.000 1.158 189 A CA 1.193 53.124 52.037 -0.176 0.000 0.742 189 A CB -0.509 18.465 19.000 -0.042 0.000 0.790 189 A HN 0.569 nan 8.150 nan 0.000 0.472 190 I N -0.588 119.844 120.570 -0.230 0.000 2.286 190 I HA -0.260 3.910 4.170 0.000 0.000 0.248 190 I C 2.115 178.191 176.117 -0.067 0.000 1.115 190 I CA 2.033 63.222 61.300 -0.184 0.000 1.392 190 I CB -0.513 37.261 38.000 -0.377 0.000 1.065 190 I HN 0.630 nan 8.210 nan 0.000 0.418 191 H N -0.825 118.103 119.070 -0.237 0.000 2.353 191 H HA -0.236 4.320 4.556 0.000 0.000 0.300 191 H C 2.161 177.383 175.328 -0.175 0.000 1.090 191 H CA 1.462 57.403 56.048 -0.178 0.000 1.327 191 H CB 0.252 29.878 29.762 -0.226 0.000 1.383 191 H HN 0.368 nan 8.280 nan 0.000 0.508 192 Q N 0.638 120.271 119.800 -0.278 0.000 2.123 192 Q HA -0.076 4.264 4.340 0.000 0.000 0.199 192 Q C 2.369 178.177 176.000 -0.319 0.000 0.966 192 Q CA 1.457 56.953 55.803 -0.511 0.000 0.845 192 Q CB -0.348 27.803 28.738 -0.979 0.000 0.907 192 Q HN 0.361 nan 8.270 nan 0.000 0.439 193 V N 0.456 120.335 119.914 -0.059 0.000 2.407 193 V HA -0.278 3.842 4.120 0.000 0.000 0.248 193 V C 2.296 178.670 176.094 0.467 0.000 1.055 193 V CA 1.723 64.219 62.300 0.327 0.000 1.049 193 V CB -0.588 31.493 31.823 0.429 0.000 0.662 193 V HN 0.428 nan 8.190 nan 0.000 0.455 194 M N -0.817 118.984 119.600 0.336 0.000 2.086 194 M HA -0.132 4.348 4.480 0.000 0.000 0.261 194 M C 2.218 178.677 176.300 0.266 0.000 1.067 194 M CA 2.025 57.537 55.300 0.353 0.000 1.116 194 M CB -0.858 31.921 32.600 0.298 0.000 1.348 194 M HN 0.301 nan 8.290 nan 0.000 0.407 195 I N -0.111 120.540 120.570 0.134 0.000 2.252 195 I HA -0.282 3.888 4.170 0.000 0.000 0.245 195 I C 2.435 178.596 176.117 0.074 0.000 1.102 195 I CA 0.699 62.039 61.300 0.067 0.000 1.385 195 I CB -0.507 37.452 38.000 -0.068 0.000 1.064 195 I HN 0.202 nan 8.210 nan 0.000 0.414 196 L N 0.622 121.876 121.223 0.052 0.000 2.017 196 L HA -0.165 4.175 4.340 0.000 0.000 0.208 196 L C 1.903 178.714 176.870 -0.099 0.000 1.073 196 L CA 2.062 56.890 54.840 -0.019 0.000 0.745 196 L CB -0.637 41.419 42.059 -0.004 0.000 0.894 196 L HN 0.046 nan 8.230 nan 0.000 0.432 197 F N -0.387 119.667 119.950 0.174 0.000 2.797 197 F HA 0.161 4.688 4.527 0.000 0.000 0.302 197 F C 1.683 177.567 175.800 0.139 0.000 1.130 197 F CA 0.258 58.356 58.000 0.163 0.000 1.387 197 F CB -0.606 38.515 39.000 0.202 0.000 1.107 197 F HN 0.168 nan 8.300 nan 0.000 0.577 198 S N -0.984 114.867 115.700 0.251 0.000 2.634 198 S HA 0.062 4.532 4.470 0.000 0.000 0.261 198 S C 0.992 175.677 174.600 0.141 0.000 1.271 198 S CA -0.665 57.650 58.200 0.192 0.000 0.985 198 S CB 0.770 64.069 63.200 0.165 0.000 0.968 198 S HN 0.084 nan 8.310 nan 0.000 0.568 199 D N 0.115 120.588 120.400 0.122 0.000 2.350 199 D HA 0.022 4.662 4.640 0.000 0.000 0.216 199 D C 1.783 178.131 176.300 0.080 0.000 0.968 199 D CA 0.564 54.621 54.000 0.096 0.000 0.894 199 D CB -0.211 40.639 40.800 0.084 0.000 0.909 199 D HN 0.504 nan 8.370 nan 0.000 0.520 200 R N -0.022 120.531 120.500 0.087 0.000 2.237 200 R HA -0.010 4.330 4.340 0.000 0.000 0.219 200 R C 2.040 178.391 176.300 0.084 0.000 1.080 200 R CA 0.801 56.954 56.100 0.088 0.000 0.995 200 R CB -0.153 30.207 30.300 0.100 0.000 0.875 200 R HN 0.091 nan 8.270 nan 0.000 0.462 201 G N 0.398 109.237 108.800 0.064 0.000 2.598 201 G HA2 -0.138 3.822 3.960 0.000 0.000 0.215 201 G HA3 -0.138 3.822 3.960 0.000 0.000 0.215 201 G C 0.452 175.376 174.900 0.041 0.000 1.131 201 G CA 0.781 45.903 45.100 0.036 0.000 0.785 201 G HN 0.331 nan 8.290 nan 0.000 0.539 202 T N -0.526 114.058 114.554 0.050 0.000 3.317 202 T HA 0.537 4.887 4.350 0.000 0.000 0.361 202 T C -3.122 171.605 174.700 0.046 0.000 1.499 202 T CA -2.001 60.125 62.100 0.044 0.000 1.529 202 T CB 2.416 71.305 68.868 0.035 0.000 0.997 202 T HN -0.151 nan 8.240 nan 0.000 0.624 203 P HA 0.293 nan 4.420 nan 0.000 0.269 203 P C 1.030 178.345 177.300 0.026 0.000 1.215 203 P CA -0.308 62.819 63.100 0.045 0.000 0.780 203 P CB 0.544 32.281 31.700 0.062 0.000 0.898 204 A N 2.846 125.686 122.820 0.034 0.000 1.969 204 A HA -0.080 4.240 4.320 0.000 0.000 0.218 204 A C 0.569 178.201 177.584 0.080 0.000 1.169 204 A CA 1.850 53.928 52.037 0.068 0.000 0.635 204 A CB -1.029 18.007 19.000 0.060 0.000 0.810 204 A HN 0.843 nan 8.150 nan 0.000 0.445 205 N N -5.833 112.848 118.700 -0.031 0.000 3.355 205 N HA 0.264 5.004 4.740 0.000 0.000 0.238 205 N C -0.299 175.113 175.510 -0.163 0.000 1.466 205 N CA -0.586 52.362 53.050 -0.170 0.000 0.882 205 N CB -0.047 38.353 38.487 -0.146 0.000 1.406 205 N HN -0.167 nan 8.380 nan 0.000 0.500 206 Y N -0.237 119.944 120.300 -0.199 0.000 2.421 206 Y HA 0.109 4.659 4.550 0.000 0.000 0.292 206 Y C 1.792 177.522 175.900 -0.284 0.000 1.136 206 Y CA 0.766 58.586 58.100 -0.467 0.000 1.255 206 Y CB -0.201 37.655 38.460 -1.007 0.000 0.991 206 Y HN 0.446 nan 8.280 nan 0.000 0.552 207 R N -0.319 120.194 120.500 0.022 0.000 2.275 207 R HA 0.028 4.368 4.340 0.000 0.000 0.199 207 R C 0.888 177.167 176.300 -0.035 0.000 0.989 207 R CA 0.990 57.101 56.100 0.019 0.000 1.016 207 R CB -0.045 30.216 30.300 -0.064 0.000 0.918 207 R HN 0.190 nan 8.270 nan 0.000 0.473 208 S N 0.313 116.028 115.700 0.025 0.000 2.384 208 S HA 0.374 4.844 4.470 0.000 0.000 0.227 208 S C 0.026 174.658 174.600 0.053 0.000 1.257 208 S CA -0.932 57.275 58.200 0.011 0.000 1.249 208 S CB -0.148 63.045 63.200 -0.012 0.000 1.018 208 S HN 0.186 nan 8.310 nan 0.000 0.478 209 M N -0.492 119.214 119.600 0.177 0.000 2.622 209 M HA 0.678 5.158 4.480 0.000 0.000 0.276 209 M C -1.440 175.128 176.300 0.446 0.000 1.265 209 M CA -0.790 54.628 55.300 0.197 0.000 0.850 209 M CB 1.174 33.928 32.600 0.256 0.000 1.720 209 M HN 0.004 nan 8.290 nan 0.000 0.465 210 H N -0.211 119.122 119.070 0.438 0.000 2.523 210 H HA 0.837 5.393 4.556 -0.000 0.000 0.345 210 H C -0.350 175.165 175.328 0.312 0.000 1.261 210 H CA -0.492 55.761 56.048 0.343 0.000 1.343 210 H CB 1.715 31.482 29.762 0.008 0.000 1.650 210 H HN 0.946 nan 8.280 nan 0.000 0.591 211 G N -0.111 108.725 108.800 0.061 0.000 2.524 211 G HA2 0.518 4.478 3.960 0.000 0.000 0.310 211 G HA3 0.518 4.478 3.960 0.000 0.000 0.310 211 G C -1.864 172.785 174.900 -0.419 0.000 1.279 211 G CA -0.394 44.623 45.100 -0.139 0.000 0.974 211 G HN 0.362 nan 8.290 nan 0.000 0.484 212 Y N 0.074 120.246 120.300 -0.213 0.000 2.504 212 Y HA 0.334 4.884 4.550 -0.000 0.000 0.344 212 Y C 1.384 176.663 175.900 -1.035 0.000 1.023 212 Y CA -0.580 57.187 58.100 -0.555 0.000 1.020 212 Y CB 2.450 40.630 38.460 -0.467 0.000 1.282 212 Y HN 0.640 nan 8.280 nan 0.000 0.454 213 S N 0.371 115.279 115.700 -1.320 0.000 2.399 213 S HA 0.020 4.490 4.470 0.000 0.000 0.231 213 S C 1.845 176.064 174.600 -0.634 0.000 1.022 213 S CA 1.279 58.613 58.200 -1.443 0.000 0.983 213 S CB -0.649 62.004 63.200 -0.912 0.000 0.803 213 S HN 1.572 nan 8.310 nan 0.000 0.480 214 G N 2.270 110.750 108.800 -0.532 0.000 4.754 214 G HA2 -0.313 3.647 3.960 0.000 0.000 0.222 214 G HA3 -0.313 3.647 3.960 0.000 0.000 0.222 214 G C 0.190 174.834 174.900 -0.426 0.000 1.377 214 G CA 0.471 45.275 45.100 -0.495 0.000 0.942 214 G HN 0.719 nan 8.290 nan 0.000 0.671 215 H N 1.571 120.533 119.070 -0.181 0.000 2.603 215 H HA 0.486 5.042 4.556 0.000 0.000 0.370 215 H C 0.252 175.500 175.328 -0.133 0.000 1.225 215 H CA 0.775 56.731 56.048 -0.153 0.000 1.410 215 H CB 0.302 29.927 29.762 -0.228 0.000 1.495 215 H HN 0.313 nan 8.280 nan 0.000 0.602 216 T N 2.452 117.043 114.554 0.062 0.000 2.817 216 T HA 0.256 4.606 4.350 0.000 0.000 0.293 216 T C -0.234 174.552 174.700 0.143 0.000 0.964 216 T CA -0.116 62.054 62.100 0.116 0.000 1.085 216 T CB 0.008 69.031 68.868 0.258 0.000 0.921 216 T HN 0.278 nan 8.240 nan 0.000 0.502 217 Y N 1.107 121.494 120.300 0.145 0.000 2.621 217 Y HA 0.505 5.055 4.550 -0.000 0.000 0.334 217 Y C 0.639 176.742 175.900 0.338 0.000 1.074 217 Y CA -1.178 57.065 58.100 0.238 0.000 1.149 217 Y CB 1.477 40.079 38.460 0.236 0.000 1.302 217 Y HN 0.362 nan 8.280 nan 0.000 0.501 218 K N 1.473 122.230 120.400 0.595 0.000 2.339 218 K HA 0.270 4.590 4.320 0.000 0.000 0.264 218 K C -1.750 175.303 176.600 0.755 0.000 0.986 218 K CA -0.544 56.080 56.287 0.562 0.000 0.866 218 K CB 1.079 33.792 32.500 0.354 0.000 1.103 218 K HN 0.424 nan 8.250 nan 0.000 0.441 219 W N 0.988 122.536 121.300 0.414 0.000 2.606 219 W HA 0.385 5.045 4.660 0.000 0.000 0.332 219 W C -0.107 176.667 176.519 0.425 0.000 1.052 219 W CA -0.832 56.744 57.345 0.385 0.000 1.223 219 W CB 1.770 31.426 29.460 0.326 0.000 1.383 219 W HN 0.353 nan 8.180 nan 0.000 0.524 220 S N 2.421 118.497 115.700 0.626 0.000 2.536 220 S HA 0.410 4.880 4.470 0.000 0.000 0.298 220 S C -0.081 174.777 174.600 0.431 0.000 1.083 220 S CA -0.834 57.716 58.200 0.583 0.000 0.995 220 S CB 1.498 65.089 63.200 0.651 0.000 1.058 220 S HN 0.464 nan 8.310 nan 0.000 0.488 221 N N 1.103 119.990 118.700 0.313 0.000 2.448 221 N HA 0.300 5.040 4.740 0.000 0.000 0.274 221 N C 0.300 175.835 175.510 0.041 0.000 1.239 221 N CA -0.738 52.372 53.050 0.100 0.000 0.982 221 N CB 0.224 38.780 38.487 0.115 0.000 1.199 221 N HN 0.446 nan 8.380 nan 0.000 0.576 222 K N -0.762 119.568 120.400 -0.117 0.000 2.442 222 K HA 0.038 4.358 4.320 0.000 0.000 0.198 222 K C 0.674 177.329 176.600 0.092 0.000 1.044 222 K CA 0.732 57.001 56.287 -0.029 0.000 0.948 222 K CB -0.176 32.271 32.500 -0.089 0.000 0.762 222 K HN 0.477 nan 8.250 nan 0.000 0.472 223 N N -0.510 118.248 118.700 0.096 0.000 2.416 223 N HA -0.048 4.692 4.740 0.000 0.000 0.177 223 N C 1.202 176.795 175.510 0.138 0.000 1.036 223 N CA 1.186 54.297 53.050 0.102 0.000 0.901 223 N CB 0.801 39.343 38.487 0.091 0.000 0.976 223 N HN 0.346 nan 8.380 nan 0.000 0.444 224 G N 1.078 109.999 108.800 0.201 0.000 2.184 224 G HA2 -0.174 3.786 3.960 0.000 0.000 0.206 224 G HA3 -0.174 3.786 3.960 0.000 0.000 0.206 224 G C -0.584 174.572 174.900 0.426 0.000 0.995 224 G CA -0.369 44.894 45.100 0.272 0.000 0.651 224 G HN 0.212 nan 8.290 nan 0.000 0.511 225 D N 1.171 121.750 120.400 0.298 0.000 2.382 225 D HA 0.474 5.114 4.640 0.000 0.000 0.245 225 D C 0.804 177.312 176.300 0.346 0.000 1.120 225 D CA 0.631 54.768 54.000 0.227 0.000 0.890 225 D CB 0.642 41.514 40.800 0.120 0.000 1.201 225 D HN 0.580 nan 8.370 nan 0.000 0.433 226 W N 0.970 122.282 121.300 0.021 0.000 3.031 226 W HA 0.566 5.226 4.660 0.000 0.000 0.337 226 W C -1.357 175.065 176.519 -0.161 0.000 1.187 226 W CA -0.814 56.560 57.345 0.050 0.000 1.166 226 W CB 0.430 29.874 29.460 -0.026 0.000 1.437 226 W HN 0.292 nan 8.180 nan 0.000 0.551 227 H N -0.317 118.866 119.070 0.188 0.000 2.961 227 H HA 0.385 4.941 4.556 -0.000 0.000 0.371 227 H C -1.301 174.135 175.328 0.181 0.000 1.190 227 H CA -0.637 55.397 56.048 -0.022 0.000 1.138 227 H CB 1.904 31.696 29.762 0.050 0.000 1.816 227 H HN 0.204 nan 8.280 nan 0.000 0.551 228 Y N 1.227 121.718 120.300 0.319 0.000 2.335 228 Y HA 0.365 4.915 4.550 0.000 0.000 0.331 228 Y C 0.378 176.501 175.900 0.371 0.000 1.094 228 Y CA -0.474 57.852 58.100 0.375 0.000 1.253 228 Y CB 0.632 39.269 38.460 0.295 0.000 1.203 228 Y HN 0.381 nan 8.280 nan 0.000 0.508 229 V N 1.243 121.369 119.914 0.352 0.000 2.962 229 V HA 0.680 4.800 4.120 0.000 0.000 0.313 229 V C -0.969 174.989 176.094 -0.226 0.000 1.099 229 V CA -1.035 61.255 62.300 -0.017 0.000 0.971 229 V CB 2.273 33.695 31.823 -0.669 0.000 1.028 229 V HN 0.688 nan 8.190 nan 0.000 0.430 230 Q N 1.729 121.288 119.800 -0.402 0.000 2.323 230 Q HA 0.684 5.024 4.340 0.000 0.000 0.271 230 Q C -1.519 174.270 176.000 -0.352 0.000 1.048 230 Q CA -0.724 54.764 55.803 -0.524 0.000 0.792 230 Q CB 2.956 31.174 28.738 -0.867 0.000 1.280 230 Q HN 0.775 nan 8.270 nan 0.000 0.441 231 V N 2.566 122.202 119.914 -0.464 0.000 2.472 231 V HA 0.371 4.491 4.120 0.000 0.000 0.290 231 V C -0.388 175.480 176.094 -0.377 0.000 1.037 231 V CA -0.592 61.492 62.300 -0.359 0.000 0.908 231 V CB 1.412 32.920 31.823 -0.525 0.000 0.985 231 V HN 0.686 nan 8.190 nan 0.000 0.454 232 H N 4.904 123.879 119.070 -0.159 0.000 2.589 232 H HA 0.500 5.056 4.556 0.000 0.000 0.335 232 H C -0.899 174.390 175.328 -0.066 0.000 1.019 232 H CA -0.455 55.485 56.048 -0.179 0.000 1.213 232 H CB 2.200 31.912 29.762 -0.083 0.000 1.472 232 H HN 0.473 nan 8.280 nan 0.000 0.508 233 I N 4.678 125.192 120.570 -0.094 0.000 2.412 233 I HA 0.102 4.272 4.170 0.000 0.000 0.279 233 I C -0.260 175.992 176.117 0.225 0.000 1.063 233 I CA -0.729 60.615 61.300 0.073 0.000 1.193 233 I CB 0.418 38.314 38.000 -0.173 0.000 1.370 233 I HN 0.161 nan 8.210 nan 0.000 0.479 234 K N 3.471 124.051 120.400 0.299 0.000 2.258 234 K HA 0.224 4.544 4.320 0.000 0.000 0.284 234 K C 0.211 177.135 176.600 0.541 0.000 1.051 234 K CA -0.369 56.082 56.287 0.273 0.000 0.923 234 K CB 1.452 34.044 32.500 0.154 0.000 1.046 234 K HN 0.374 nan 8.250 nan 0.000 0.474 235 T N 1.973 116.923 114.554 0.660 0.000 2.853 235 T HA 0.009 4.359 4.350 0.000 0.000 0.298 235 T C 0.534 175.253 174.700 0.031 0.000 0.978 235 T CA -0.234 61.917 62.100 0.085 0.000 1.152 235 T CB 0.133 69.032 68.868 0.052 0.000 0.914 235 T HN 0.304 nan 8.240 nan 0.000 0.539 236 D N 3.769 124.087 120.400 -0.137 0.000 2.347 236 D HA 0.004 4.644 4.640 0.000 0.000 0.215 236 D C 1.727 177.980 176.300 -0.079 0.000 0.976 236 D CA 0.712 54.679 54.000 -0.055 0.000 0.884 236 D CB 0.291 41.058 40.800 -0.056 0.000 0.915 236 D HN 0.586 nan 8.370 nan 0.000 0.526 237 Q N 0.074 119.780 119.800 -0.157 0.000 2.424 237 Q HA 0.307 4.647 4.340 0.000 0.000 0.204 237 Q C 0.801 176.771 176.000 -0.050 0.000 0.933 237 Q CA 0.409 56.144 55.803 -0.113 0.000 0.929 237 Q CB 0.473 29.112 28.738 -0.165 0.000 1.037 237 Q HN 0.200 nan 8.270 nan 0.000 0.511 238 G N 0.530 109.320 108.800 -0.017 0.000 2.721 238 G HA2 -0.179 3.781 3.960 0.000 0.000 0.686 238 G HA3 -0.179 3.781 3.960 0.000 0.000 0.686 238 G C -0.661 174.239 174.900 0.000 0.000 1.236 238 G CA -0.903 44.212 45.100 0.026 0.000 0.786 238 G HN 0.069 nan 8.290 nan 0.000 0.616 239 I N 1.468 122.035 120.570 -0.005 0.000 2.683 239 I HA 0.255 4.425 4.170 0.000 0.000 0.286 239 I C 0.783 176.900 176.117 0.000 0.000 1.175 239 I CA 0.870 62.146 61.300 -0.040 0.000 1.429 239 I CB 0.979 38.951 38.000 -0.047 0.000 1.371 239 I HN 0.682 nan 8.210 nan 0.000 0.569 240 K N 6.084 126.487 120.400 0.004 0.000 2.535 240 K HA 0.427 4.747 4.320 0.000 0.000 0.251 240 K C -1.235 175.381 176.600 0.026 0.000 0.942 240 K CA -0.644 55.653 56.287 0.017 0.000 0.798 240 K CB 1.827 34.335 32.500 0.015 0.000 1.267 240 K HN 0.545 nan 8.250 nan 0.000 0.434 241 N N 2.785 121.504 118.700 0.032 0.000 2.577 241 N HA 0.553 5.293 4.740 0.000 0.000 0.285 241 N C -1.006 174.524 175.510 0.033 0.000 1.309 241 N CA -0.581 52.492 53.050 0.038 0.000 0.798 241 N CB 1.219 39.733 38.487 0.046 0.000 1.463 241 N HN 0.399 nan 8.380 nan 0.000 0.518 242 L N 0.370 121.612 121.223 0.031 0.000 2.330 242 L HA 0.497 4.837 4.340 0.000 0.000 0.271 242 L C 0.825 177.713 176.870 0.029 0.000 1.013 242 L CA -0.877 53.973 54.840 0.017 0.000 0.816 242 L CB 1.826 43.882 42.059 -0.005 0.000 1.287 242 L HN 0.639 nan 8.230 nan 0.000 0.435 243 T N -1.879 112.690 114.554 0.025 0.000 2.828 243 T HA 0.149 4.499 4.350 0.000 0.000 0.290 243 T C 0.962 175.699 174.700 0.061 0.000 1.019 243 T CA -0.533 61.595 62.100 0.047 0.000 1.031 243 T CB 1.216 70.101 68.868 0.027 0.000 1.001 243 T HN 0.467 nan 8.240 nan 0.000 0.531 244 I N 0.780 121.417 120.570 0.112 0.000 2.454 244 I HA -0.055 4.115 4.170 0.000 0.000 0.254 244 I C 2.182 178.354 176.117 0.092 0.000 1.156 244 I CA 1.333 62.701 61.300 0.115 0.000 1.433 244 I CB -0.731 37.375 38.000 0.177 0.000 1.082 244 I HN 0.816 nan 8.210 nan 0.000 0.432 245 E N -0.048 120.209 120.200 0.095 0.000 2.072 245 E HA -0.198 4.152 4.350 0.000 0.000 0.190 245 E C 2.005 178.613 176.600 0.013 0.000 0.982 245 E CA 1.269 57.707 56.400 0.063 0.000 0.803 245 E CB -0.155 29.579 29.700 0.055 0.000 0.755 245 E HN 0.585 nan 8.360 nan 0.000 0.453 246 E N 0.949 121.146 120.200 -0.005 0.000 2.072 246 E HA -0.162 4.188 4.350 0.000 0.000 0.191 246 E C 2.108 178.663 176.600 -0.075 0.000 0.985 246 E CA 0.953 57.325 56.400 -0.045 0.000 0.801 246 E CB -0.121 29.550 29.700 -0.049 0.000 0.750 246 E HN 0.219 nan 8.360 nan 0.000 0.452 247 A N 0.734 123.525 122.820 -0.049 0.000 1.933 247 A HA -0.187 4.133 4.320 0.000 0.000 0.218 247 A C 2.336 179.890 177.584 -0.049 0.000 1.175 247 A CA 1.892 53.894 52.037 -0.058 0.000 0.628 247 A CB -0.794 18.198 19.000 -0.014 0.000 0.814 247 A HN 0.182 nan 8.150 nan 0.000 0.444 248 T N -0.234 114.308 114.554 -0.020 0.000 2.857 248 T HA -0.078 4.272 4.350 0.000 0.000 0.266 248 T C 1.921 176.602 174.700 -0.030 0.000 1.048 248 T CA 1.620 63.712 62.100 -0.014 0.000 1.139 248 T CB -0.136 68.738 68.868 0.011 0.000 0.874 248 T HN 0.553 nan 8.240 nan 0.000 0.455 249 K N 0.762 121.138 120.400 -0.040 0.000 2.026 249 K HA 0.063 4.383 4.320 0.000 0.000 0.208 249 K C 2.148 178.704 176.600 -0.074 0.000 1.048 249 K CA 1.151 57.409 56.287 -0.048 0.000 0.929 249 K CB -0.271 32.199 32.500 -0.049 0.000 0.713 249 K HN 0.304 nan 8.250 nan 0.000 0.439 250 I N 0.970 121.464 120.570 -0.126 0.000 2.394 250 I HA -0.228 3.942 4.170 0.000 0.000 0.251 250 I C 2.383 178.434 176.117 -0.109 0.000 1.136 250 I CA 0.792 61.980 61.300 -0.187 0.000 1.425 250 I CB -0.350 37.405 38.000 -0.409 0.000 1.079 250 I HN 0.146 nan 8.210 nan 0.000 0.425 251 A N 0.816 123.591 122.820 -0.075 0.000 2.024 251 A HA -0.113 4.207 4.320 0.000 0.000 0.220 251 A C 2.359 179.928 177.584 -0.026 0.000 1.164 251 A CA 1.943 53.958 52.037 -0.037 0.000 0.643 251 A CB -1.065 17.918 19.000 -0.029 0.000 0.806 251 A HN 0.480 nan 8.150 nan 0.000 0.451 252 G N -0.767 108.016 108.800 -0.029 0.000 2.510 252 G HA2 0.035 3.995 3.960 0.000 0.000 0.212 252 G HA3 0.035 3.995 3.960 0.000 0.000 0.212 252 G C 1.900 176.792 174.900 -0.014 0.000 1.151 252 G CA 1.253 46.341 45.100 -0.019 0.000 0.817 252 G HN 0.754 nan 8.290 nan 0.000 0.534 253 S N -0.080 115.608 115.700 -0.019 0.000 2.377 253 S HA 0.042 4.512 4.470 0.000 0.000 0.223 253 S C 0.968 175.576 174.600 0.014 0.000 1.030 253 S CA 0.810 59.006 58.200 -0.006 0.000 0.970 253 S CB 0.005 63.196 63.200 -0.014 0.000 0.830 253 S HN 0.214 nan 8.310 nan 0.000 0.473 254 N N 1.528 120.241 118.700 0.022 0.000 2.648 254 N HA 0.446 5.186 4.740 0.000 0.000 0.261 254 N C -2.830 172.727 175.510 0.079 0.000 1.138 254 N CA -2.153 50.939 53.050 0.070 0.000 0.804 254 N CB 1.684 40.259 38.487 0.146 0.000 1.237 254 N HN -0.075 nan 8.380 nan 0.000 0.532 255 P HA 0.006 nan 4.420 nan 0.000 0.221 255 P C -0.375 176.988 177.300 0.105 0.000 1.145 255 P CA 1.108 64.236 63.100 0.047 0.000 0.795 255 P CB 0.324 32.029 31.700 0.007 0.000 0.775 256 D N -2.351 118.121 120.400 0.120 0.000 2.738 256 D HA 0.046 4.686 4.640 0.000 0.000 0.246 256 D C 0.971 177.354 176.300 0.139 0.000 1.270 256 D CA -0.417 53.666 54.000 0.138 0.000 0.833 256 D CB -0.387 40.459 40.800 0.077 0.000 1.040 256 D HN 0.141 nan 8.370 nan 0.000 0.487 257 Y N 0.867 121.181 120.300 0.023 0.000 2.097 257 Y HA -0.313 4.237 4.550 0.000 0.000 0.282 257 Y C 2.144 178.029 175.900 -0.025 0.000 1.152 257 Y CA 1.622 59.720 58.100 -0.003 0.000 1.136 257 Y CB -0.181 38.266 38.460 -0.021 0.000 0.975 257 Y HN 0.089 nan 8.280 nan 0.000 0.498 258 C N -0.148 119.123 119.300 -0.049 0.000 2.450 258 C HA -0.126 4.334 4.460 0.000 0.000 0.279 258 C C 2.652 177.602 174.990 -0.067 0.000 1.335 258 C CA 1.159 60.018 59.018 -0.266 0.000 1.749 258 C CB -1.142 26.224 27.740 -0.624 0.000 1.963 258 C HN 0.644 nan 8.230 nan 0.000 0.501 259 Q N 1.400 121.249 119.800 0.082 0.000 2.084 259 Q HA -0.206 4.134 4.340 0.000 0.000 0.202 259 Q C 2.135 178.214 176.000 0.133 0.000 0.978 259 Q CA 1.869 57.775 55.803 0.170 0.000 0.844 259 Q CB -0.616 28.198 28.738 0.127 0.000 0.898 259 Q HN 0.735 nan 8.270 nan 0.000 0.426 260 Q N -0.406 119.418 119.800 0.040 0.000 2.079 260 Q HA -0.200 4.140 4.340 0.000 0.000 0.200 260 Q C 1.517 177.534 176.000 0.028 0.000 0.974 260 Q CA 1.836 57.661 55.803 0.037 0.000 0.840 260 Q CB -0.206 28.520 28.738 -0.020 0.000 0.898 260 Q HN 0.614 nan 8.270 nan 0.000 0.430 261 D N -0.395 119.933 120.400 -0.120 0.000 2.097 261 D HA -0.203 4.437 4.640 0.000 0.000 0.195 261 D C 1.903 178.207 176.300 0.007 0.000 0.989 261 D CA 1.106 55.023 54.000 -0.139 0.000 0.827 261 D CB -0.078 40.528 40.800 -0.324 0.000 0.966 261 D HN 0.262 nan 8.370 nan 0.000 0.456 262 L N -0.562 120.713 121.223 0.087 0.000 2.056 262 L HA -0.007 4.333 4.340 0.000 0.000 0.207 262 L C 1.953 178.935 176.870 0.186 0.000 1.078 262 L CA 1.507 56.448 54.840 0.169 0.000 0.749 262 L CB -0.877 41.346 42.059 0.274 0.000 0.901 262 L HN 0.167 nan 8.230 nan 0.000 0.433 263 F N 0.587 120.604 119.950 0.112 0.000 2.075 263 F HA -0.213 4.314 4.527 -0.000 0.000 0.297 263 F C 2.413 178.270 175.800 0.095 0.000 1.113 263 F CA 2.108 60.178 58.000 0.117 0.000 1.218 263 F CB -0.173 38.887 39.000 0.101 0.000 0.984 263 F HN 0.178 nan 8.300 nan 0.000 0.472 264 E N -0.064 120.273 120.200 0.228 0.000 2.106 264 E HA -0.185 4.165 4.350 0.000 0.000 0.192 264 E C 2.308 178.921 176.600 0.021 0.000 0.984 264 E CA 0.864 57.337 56.400 0.123 0.000 0.806 264 E CB -0.366 29.407 29.700 0.122 0.000 0.750 264 E HN 0.502 nan 8.360 nan 0.000 0.458 265 A N 1.133 123.966 122.820 0.022 0.000 1.902 265 A HA -0.173 4.147 4.320 0.000 0.000 0.217 265 A C 2.142 179.735 177.584 0.014 0.000 1.181 265 A CA 1.081 53.122 52.037 0.006 0.000 0.623 265 A CB -0.509 18.505 19.000 0.023 0.000 0.818 265 A HN 0.144 nan 8.150 nan 0.000 0.443 266 I N -0.842 119.760 120.570 0.053 0.000 2.315 266 I HA -0.259 3.911 4.170 0.000 0.000 0.248 266 I C 2.776 178.944 176.117 0.084 0.000 1.117 266 I CA 1.597 62.997 61.300 0.167 0.000 1.404 266 I CB -0.328 37.738 38.000 0.109 0.000 1.071 266 I HN 0.520 nan 8.210 nan 0.000 0.419 267 Q N 1.044 120.778 119.800 -0.109 0.000 2.124 267 Q HA -0.197 4.143 4.340 0.000 0.000 0.202 267 Q C 1.410 177.392 176.000 -0.030 0.000 0.977 267 Q CA 1.401 57.142 55.803 -0.104 0.000 0.850 267 Q CB 0.106 28.743 28.738 -0.168 0.000 0.901 267 Q HN 0.464 nan 8.270 nan 0.000 0.429 268 N N -0.817 117.855 118.700 -0.047 0.000 2.461 268 N HA 0.047 4.787 4.740 0.000 0.000 0.188 268 N C 0.665 176.083 175.510 -0.153 0.000 1.134 268 N CA 0.974 53.984 53.050 -0.066 0.000 0.878 268 N CB 0.861 39.317 38.487 -0.051 0.000 0.972 268 N HN 0.454 nan 8.380 nan 0.000 0.456 269 G N 1.241 109.877 108.800 -0.272 0.000 2.179 269 G HA2 -0.312 3.648 3.960 0.000 0.000 0.260 269 G HA3 -0.312 3.648 3.960 0.000 0.000 0.260 269 G C 0.152 174.540 174.900 -0.853 0.000 0.977 269 G CA 0.082 44.761 45.100 -0.701 0.000 0.641 269 G HN 0.536 nan 8.290 nan 0.000 0.533 270 N N 0.454 118.889 118.700 -0.443 0.000 3.298 270 N HA 0.308 5.048 4.740 0.000 0.000 0.292 270 N C -0.239 175.186 175.510 -0.142 0.000 1.271 270 N CA -0.593 52.299 53.050 -0.263 0.000 1.184 270 N CB -0.102 38.306 38.487 -0.131 0.000 1.452 270 N HN 0.216 nan 8.380 nan 0.000 0.534 271 Y N 1.889 122.198 120.300 0.015 0.000 2.569 271 Y HA 0.147 4.697 4.550 0.000 0.000 0.332 271 Y C -1.564 174.338 175.900 0.005 0.000 1.120 271 Y CA -2.399 55.721 58.100 0.033 0.000 1.416 271 Y CB -0.279 38.216 38.460 0.059 0.000 1.210 271 Y HN 0.381 nan 8.280 nan 0.000 0.528 272 P HA 0.179 nan 4.420 nan 0.000 0.275 272 P C -0.755 176.521 177.300 -0.040 0.000 1.227 272 P CA -0.310 62.751 63.100 -0.064 0.000 0.781 272 P CB 1.441 33.076 31.700 -0.109 0.000 0.906 273 S N 1.937 117.481 115.700 -0.260 0.000 2.570 273 S HA 0.725 5.195 4.470 0.000 0.000 0.286 273 S C -1.352 173.142 174.600 -0.178 0.000 1.099 273 S CA -0.785 57.407 58.200 -0.013 0.000 0.913 273 S CB 1.667 64.890 63.200 0.039 0.000 1.085 273 S HN 0.526 nan 8.310 nan 0.000 0.480 274 W N 0.599 122.017 121.300 0.195 0.000 2.915 274 W HA 0.417 5.077 4.660 0.000 0.000 0.337 274 W C -0.964 175.655 176.519 0.165 0.000 1.102 274 W CA -0.713 56.774 57.345 0.236 0.000 1.224 274 W CB 2.533 32.207 29.460 0.357 0.000 1.416 274 W HN 0.586 nan 8.180 nan 0.000 0.503 275 T N 2.201 116.938 114.554 0.305 0.000 2.767 275 T HA 0.326 4.676 4.350 0.000 0.000 0.284 275 T C -0.083 174.634 174.700 0.029 0.000 0.973 275 T CA -0.420 61.730 62.100 0.083 0.000 0.996 275 T CB 1.510 70.345 68.868 -0.055 0.000 0.927 275 T HN 0.045 nan 8.240 nan 0.000 0.456 276 V N 4.921 124.848 119.914 0.022 0.000 2.432 276 V HA 0.405 4.525 4.120 0.000 0.000 0.275 276 V C -0.831 175.185 176.094 -0.130 0.000 1.043 276 V CA -0.497 61.877 62.300 0.125 0.000 0.925 276 V CB -0.141 31.951 31.823 0.448 0.000 0.985 276 V HN 0.770 nan 8.190 nan 0.000 0.466 277 Y N 4.572 124.957 120.300 0.142 0.000 2.570 277 Y HA 0.778 5.328 4.550 0.000 0.000 0.345 277 Y C 0.169 176.097 175.900 0.045 0.000 1.014 277 Y CA -1.075 57.069 58.100 0.075 0.000 1.063 277 Y CB 2.032 40.498 38.460 0.010 0.000 1.272 277 Y HN 0.614 nan 8.280 nan 0.000 0.477 278 I N -0.993 119.685 120.570 0.180 0.000 2.828 278 I HA 0.651 4.821 4.170 0.000 0.000 0.302 278 I C -1.453 174.706 176.117 0.070 0.000 1.101 278 I CA -1.205 60.121 61.300 0.043 0.000 1.031 278 I CB 2.441 40.368 38.000 -0.122 0.000 1.231 278 I HN 0.504 nan 8.210 nan 0.000 0.427 279 Q N 3.312 123.168 119.800 0.093 0.000 2.307 279 Q HA 0.481 4.821 4.340 0.000 0.000 0.262 279 Q C -0.629 175.554 176.000 0.305 0.000 0.961 279 Q CA -0.749 55.194 55.803 0.233 0.000 0.882 279 Q CB 2.327 31.301 28.738 0.393 0.000 1.264 279 Q HN 0.832 nan 8.270 nan 0.000 0.446 280 T N -0.077 114.621 114.554 0.240 0.000 2.925 280 T HA 0.792 5.142 4.350 0.000 0.000 0.285 280 T C -0.340 174.477 174.700 0.196 0.000 1.021 280 T CA -0.852 61.362 62.100 0.191 0.000 1.042 280 T CB 1.505 70.334 68.868 -0.064 0.000 1.037 280 T HN 0.629 nan 8.240 nan 0.000 0.481 281 M N 2.539 122.240 119.600 0.168 0.000 2.413 281 M HA 0.411 4.891 4.480 0.000 0.000 0.287 281 M C -0.510 175.817 176.300 0.044 0.000 1.186 281 M CA -0.503 54.777 55.300 -0.033 0.000 0.927 281 M CB 2.374 34.591 32.600 -0.638 0.000 1.715 281 M HN 1.093 nan 8.290 nan 0.000 0.478 282 T N -1.016 113.496 114.554 -0.070 0.000 2.824 282 T HA 0.316 4.666 4.350 0.000 0.000 0.277 282 T C 0.692 175.236 174.700 -0.261 0.000 0.975 282 T CA -0.316 61.584 62.100 -0.334 0.000 0.966 282 T CB 1.277 69.949 68.868 -0.326 0.000 1.054 282 T HN 0.872 nan 8.240 nan 0.000 0.533 283 E N -0.292 119.638 120.200 -0.451 0.000 2.150 283 E HA -0.150 4.200 4.350 0.000 0.000 0.193 283 E C 2.314 178.866 176.600 -0.081 0.000 0.985 283 E CA 0.559 56.859 56.400 -0.166 0.000 0.814 283 E CB -0.026 29.512 29.700 -0.270 0.000 0.752 283 E HN 0.646 nan 8.360 nan 0.000 0.466 284 R N 0.464 120.880 120.500 -0.139 0.000 2.081 284 R HA -0.147 4.193 4.340 0.000 0.000 0.235 284 R C 1.603 177.850 176.300 -0.089 0.000 1.131 284 R CA 1.833 57.873 56.100 -0.100 0.000 0.960 284 R CB -0.043 30.195 30.300 -0.103 0.000 0.856 284 R HN 0.187 nan 8.270 nan 0.000 0.436 285 D N 0.329 120.675 120.400 -0.091 0.000 2.144 285 D HA -0.135 4.505 4.640 0.000 0.000 0.199 285 D C 1.724 177.921 176.300 -0.173 0.000 0.984 285 D CA 1.430 55.385 54.000 -0.075 0.000 0.834 285 D CB -0.169 40.627 40.800 -0.007 0.000 0.955 285 D HN 0.383 nan 8.370 nan 0.000 0.465 286 A N 1.264 123.956 122.820 -0.213 0.000 1.933 286 A HA -0.210 4.110 4.320 0.000 0.000 0.218 286 A C 2.067 179.496 177.584 -0.258 0.000 1.175 286 A CA 1.413 53.256 52.037 -0.323 0.000 0.628 286 A CB -0.382 18.450 19.000 -0.279 0.000 0.814 286 A HN 0.152 nan 8.150 nan 0.000 0.444 287 K N -0.293 120.016 120.400 -0.152 0.000 2.209 287 K HA -0.091 4.229 4.320 0.000 0.000 0.204 287 K C 1.632 178.160 176.600 -0.121 0.000 1.048 287 K CA 1.466 57.684 56.287 -0.114 0.000 0.940 287 K CB -0.085 32.373 32.500 -0.070 0.000 0.729 287 K HN 0.426 nan 8.250 nan 0.000 0.451 288 K N 0.411 120.732 120.400 -0.131 0.000 2.426 288 K HA 0.113 4.433 4.320 0.000 0.000 0.193 288 K C 0.216 176.717 176.600 -0.165 0.000 1.028 288 K CA -0.008 56.209 56.287 -0.116 0.000 1.047 288 K CB 0.189 32.639 32.500 -0.084 0.000 0.821 288 K HN 0.034 nan 8.250 nan 0.000 0.513 289 L N 2.703 123.761 121.223 -0.276 0.000 2.439 289 L HA 0.058 4.398 4.340 0.000 0.000 0.269 289 L C -1.053 175.588 176.870 -0.382 0.000 1.179 289 L CA -1.207 53.361 54.840 -0.455 0.000 0.828 289 L CB 0.350 41.913 42.059 -0.827 0.000 1.106 289 L HN -0.003 nan 8.230 nan 0.000 0.467 290 P HA -0.051 nan 4.420 nan 0.000 0.237 290 P C -0.453 176.857 177.300 0.016 0.000 1.178 290 P CA 0.820 63.855 63.100 -0.108 0.000 0.766 290 P CB 0.000 31.709 31.700 0.015 0.000 0.876 291 F N -2.488 117.475 119.950 0.022 0.000 2.675 291 F HA 0.720 5.247 4.527 -0.000 0.000 0.324 291 F C -0.213 175.605 175.800 0.030 0.000 1.106 291 F CA -1.990 56.039 58.000 0.049 0.000 0.970 291 F CB 0.429 39.458 39.000 0.048 0.000 1.385 291 F HN -0.406 nan 8.300 nan 0.000 0.489 292 S N 0.185 116.122 115.700 0.394 0.000 2.537 292 S HA 0.403 4.873 4.470 0.000 0.000 0.275 292 S C 0.949 175.689 174.600 0.233 0.000 1.272 292 S CA -0.291 58.048 58.200 0.232 0.000 1.050 292 S CB 1.166 64.636 63.200 0.451 0.000 0.961 292 S HN 1.013 nan 8.310 nan 0.000 0.496 293 V N 3.244 123.056 119.914 -0.170 0.000 2.913 293 V HA 0.056 4.176 4.120 0.000 0.000 0.260 293 V C 1.170 177.254 176.094 -0.017 0.000 1.098 293 V CA 1.230 63.453 62.300 -0.129 0.000 1.121 293 V CB -1.190 30.251 31.823 -0.637 0.000 0.714 293 V HN 0.813 nan 8.190 nan 0.000 0.487 294 F N 0.565 120.652 119.950 0.227 0.000 2.797 294 F HA 0.376 4.903 4.527 0.000 0.000 0.302 294 F C 0.886 176.930 175.800 0.406 0.000 1.130 294 F CA -0.986 57.175 58.000 0.268 0.000 1.387 294 F CB -0.524 38.610 39.000 0.224 0.000 1.107 294 F HN 0.195 nan 8.300 nan 0.000 0.577 295 D N 1.000 121.682 120.400 0.471 0.000 2.359 295 D HA 0.103 4.743 4.640 0.000 0.000 0.230 295 D C 1.257 177.587 176.300 0.051 0.000 1.118 295 D CA 0.013 54.119 54.000 0.177 0.000 0.844 295 D CB 0.980 41.794 40.800 0.022 0.000 1.059 295 D HN 0.147 nan 8.370 nan 0.000 0.493 296 L N 3.120 124.364 121.223 0.034 0.000 2.191 296 L HA -0.155 4.185 4.340 0.000 0.000 0.212 296 L C 1.953 178.739 176.870 -0.140 0.000 1.103 296 L CA 1.495 56.316 54.840 -0.032 0.000 0.769 296 L CB -0.102 41.979 42.059 0.037 0.000 0.908 296 L HN 0.514 nan 8.230 nan 0.000 0.438 297 T N -3.252 111.199 114.554 -0.172 0.000 3.148 297 T HA 0.030 4.380 4.350 0.000 0.000 0.253 297 T C 0.646 175.252 174.700 -0.157 0.000 1.134 297 T CA -0.099 61.880 62.100 -0.201 0.000 1.051 297 T CB -0.017 68.715 68.868 -0.227 0.000 0.959 297 T HN -0.009 nan 8.240 nan 0.000 0.525 298 K N 1.797 122.066 120.400 -0.218 0.000 2.267 298 K HA 0.644 4.964 4.320 0.000 0.000 0.246 298 K C -0.344 176.076 176.600 -0.301 0.000 0.954 298 K CA -0.808 55.264 56.287 -0.359 0.000 0.824 298 K CB 2.451 34.519 32.500 -0.720 0.000 1.167 298 K HN 0.194 nan 8.250 nan 0.000 0.431 299 V N -1.845 117.913 119.914 -0.260 0.000 2.815 299 V HA 0.595 4.715 4.120 0.000 0.000 0.314 299 V C -0.937 175.262 176.094 0.175 0.000 1.064 299 V CA -1.108 61.136 62.300 -0.094 0.000 0.952 299 V CB 1.497 33.317 31.823 -0.005 0.000 1.020 299 V HN 0.531 nan 8.190 nan 0.000 0.439 300 W N 1.609 122.967 121.300 0.096 0.000 2.316 300 W HA 0.563 5.223 4.660 -0.000 0.000 0.311 300 W C -2.380 174.297 176.519 0.264 0.000 1.217 300 W CA -2.732 54.746 57.345 0.222 0.000 1.199 300 W CB -0.322 29.163 29.460 0.042 0.000 1.202 300 W HN 0.419 nan 8.180 nan 0.000 0.528 301 P HA -0.029 nan 4.420 nan 0.000 0.262 301 P C 0.536 178.052 177.300 0.359 0.000 1.199 301 P CA 0.502 63.834 63.100 0.388 0.000 0.763 301 P CB 0.543 32.440 31.700 0.330 0.000 0.790 302 Q N 1.939 121.864 119.800 0.209 0.000 2.472 302 Q HA -0.016 4.324 4.340 0.000 0.000 0.208 302 Q C 2.102 178.135 176.000 0.056 0.000 0.958 302 Q CA 0.827 56.707 55.803 0.129 0.000 0.932 302 Q CB -0.130 28.635 28.738 0.046 0.000 1.007 302 Q HN 0.658 nan 8.270 nan 0.000 0.508 303 G N 0.922 109.744 108.800 0.037 0.000 2.404 303 G HA2 -0.280 3.680 3.960 0.000 0.000 0.214 303 G HA3 -0.280 3.680 3.960 0.000 0.000 0.214 303 G C 1.258 176.100 174.900 -0.097 0.000 1.189 303 G CA 0.381 45.468 45.100 -0.022 0.000 0.789 303 G HN 0.245 nan 8.290 nan 0.000 0.533 304 Q N -0.958 118.735 119.800 -0.178 0.000 2.137 304 Q HA 0.101 4.441 4.340 0.000 0.000 0.198 304 Q C -0.021 175.566 176.000 -0.689 0.000 0.960 304 Q CA 0.433 55.935 55.803 -0.502 0.000 0.847 304 Q CB 0.102 28.387 28.738 -0.754 0.000 0.915 304 Q HN 0.428 nan 8.270 nan 0.000 0.448 305 F N 2.046 122.016 119.950 0.033 0.000 2.366 305 F HA 0.401 4.928 4.527 0.000 0.000 0.357 305 F C -2.089 173.745 175.800 0.056 0.000 1.107 305 F CA -2.757 55.277 58.000 0.057 0.000 1.208 305 F CB 0.906 39.979 39.000 0.122 0.000 1.464 305 F HN 0.015 nan 8.300 nan 0.000 0.501 306 P HA 0.093 nan 4.420 nan 0.000 0.273 306 P C -0.390 176.921 177.300 0.018 0.000 1.250 306 P CA -0.268 62.850 63.100 0.031 0.000 0.793 306 P CB 1.510 33.207 31.700 -0.004 0.000 1.011 307 L N 1.068 122.241 121.223 -0.085 0.000 2.283 307 L HA 0.360 4.700 4.340 0.000 0.000 0.287 307 L C 1.310 178.218 176.870 0.063 0.000 1.073 307 L CA -0.383 54.391 54.840 -0.111 0.000 0.822 307 L CB 0.079 41.866 42.059 -0.452 0.000 1.186 307 L HN 0.382 nan 8.230 nan 0.000 0.436 308 R N 3.959 124.546 120.500 0.146 0.000 2.265 308 R HA 0.291 4.631 4.340 0.000 0.000 0.314 308 R C -0.112 176.349 176.300 0.269 0.000 1.053 308 R CA -0.626 55.578 56.100 0.173 0.000 0.931 308 R CB 0.898 31.253 30.300 0.091 0.000 1.024 308 R HN 0.552 nan 8.270 nan 0.000 0.457 309 R N 2.936 123.579 120.500 0.238 0.000 2.490 309 R HA 0.147 4.487 4.340 0.000 0.000 0.280 309 R C 0.115 176.421 176.300 0.009 0.000 1.077 309 R CA -0.269 55.860 56.100 0.050 0.000 1.065 309 R CB 1.066 31.372 30.300 0.011 0.000 1.003 309 R HN 0.564 nan 8.270 nan 0.000 0.470 310 V N 2.040 121.943 119.914 -0.019 0.000 2.950 310 V HA 0.434 4.554 4.120 0.000 0.000 0.231 310 V C 0.811 176.966 176.094 0.101 0.000 1.205 310 V CA 0.854 63.194 62.300 0.068 0.000 1.239 310 V CB 0.701 32.613 31.823 0.149 0.000 1.050 310 V HN 0.983 nan 8.190 nan 0.000 0.498 311 G N -0.499 108.357 108.800 0.093 0.000 2.435 311 G HA2 0.462 4.422 3.960 0.000 0.000 0.296 311 G HA3 0.462 4.422 3.960 0.000 0.000 0.296 311 G C -1.861 173.017 174.900 -0.035 0.000 1.240 311 G CA -0.574 44.483 45.100 -0.071 0.000 0.872 311 G HN 0.047 nan 8.290 nan 0.000 0.480 312 K N -0.423 119.869 120.400 -0.181 0.000 2.426 312 K HA 0.646 4.966 4.320 0.000 0.000 0.251 312 K C -1.232 175.431 176.600 0.106 0.000 0.941 312 K CA -0.719 55.580 56.287 0.021 0.000 0.808 312 K CB 2.732 35.233 32.500 0.002 0.000 1.265 312 K HN 0.336 nan 8.250 nan 0.000 0.432 313 I N 2.683 123.427 120.570 0.290 0.000 2.382 313 I HA 0.258 4.428 4.170 0.000 0.000 0.286 313 I C -0.753 175.496 176.117 0.220 0.000 1.002 313 I CA -1.045 60.437 61.300 0.303 0.000 1.135 313 I CB 1.797 40.064 38.000 0.445 0.000 1.288 313 I HN 0.131 nan 8.210 nan 0.000 0.448 314 V N 7.454 127.280 119.914 -0.146 0.000 2.417 314 V HA 0.395 4.515 4.120 0.000 0.000 0.291 314 V C 0.016 176.061 176.094 -0.083 0.000 1.024 314 V CA -0.577 61.635 62.300 -0.147 0.000 0.861 314 V CB 1.868 33.410 31.823 -0.468 0.000 0.985 314 V HN 0.486 nan 8.190 nan 0.000 0.436 315 L N 5.751 127.070 121.223 0.159 0.000 2.264 315 L HA 0.451 4.791 4.340 0.000 0.000 0.287 315 L C 0.565 177.461 176.870 0.044 0.000 1.039 315 L CA -0.321 54.603 54.840 0.140 0.000 0.829 315 L CB 0.945 43.177 42.059 0.289 0.000 1.211 315 L HN 0.856 nan 8.230 nan 0.000 0.427 316 N N 1.528 120.143 118.700 -0.143 0.000 2.177 316 N HA 0.067 4.807 4.740 0.000 0.000 0.218 316 N C -0.149 175.155 175.510 -0.343 0.000 1.182 316 N CA -0.236 52.439 53.050 -0.624 0.000 0.882 316 N CB 0.809 38.785 38.487 -0.851 0.000 1.052 316 N HN 0.572 nan 8.380 nan 0.000 0.519 317 E N 0.360 120.540 120.200 -0.033 0.000 2.278 317 E HA 0.278 4.628 4.350 0.000 0.000 0.272 317 E C -1.281 175.417 176.600 0.164 0.000 0.890 317 E CA -0.600 55.834 56.400 0.056 0.000 0.770 317 E CB 1.184 30.930 29.700 0.077 0.000 1.212 317 E HN 0.032 nan 8.360 nan 0.000 0.415 318 N N 3.641 122.404 118.700 0.104 0.000 2.530 318 N HA 0.290 5.030 4.740 0.000 0.000 0.277 318 N C -2.470 173.228 175.510 0.313 0.000 1.168 318 N CA -1.263 51.879 53.050 0.154 0.000 0.979 318 N CB 0.831 39.279 38.487 -0.065 0.000 1.141 318 N HN 0.306 nan 8.380 nan 0.000 0.459 319 P HA 0.083 nan 4.420 nan 0.000 0.266 319 P C 0.829 178.329 177.300 0.333 0.000 1.195 319 P CA -0.041 63.311 63.100 0.421 0.000 0.768 319 P CB 0.769 32.666 31.700 0.329 0.000 0.838 320 L N 1.144 122.515 121.223 0.247 0.000 2.109 320 L HA 0.004 4.344 4.340 0.000 0.000 0.207 320 L C 1.127 178.120 176.870 0.206 0.000 1.086 320 L CA 1.166 56.123 54.840 0.194 0.000 0.760 320 L CB -0.168 41.960 42.059 0.115 0.000 0.910 320 L HN 0.500 nan 8.230 nan 0.000 0.437 321 N N -1.141 117.688 118.700 0.216 0.000 2.480 321 N HA 0.034 4.774 4.740 0.000 0.000 0.289 321 N C 0.175 175.842 175.510 0.261 0.000 1.073 321 N CA -0.372 52.816 53.050 0.230 0.000 0.885 321 N CB 1.633 40.234 38.487 0.191 0.000 1.421 321 N HN -0.074 nan 8.380 nan 0.000 0.503 322 F N 4.113 124.160 119.950 0.162 0.000 2.126 322 F HA -0.144 4.383 4.527 0.000 0.000 0.299 322 F C 1.604 177.490 175.800 0.142 0.000 1.096 322 F CA 1.501 59.586 58.000 0.142 0.000 1.255 322 F CB -0.073 39.003 39.000 0.127 0.000 0.997 322 F HN 0.599 nan 8.300 nan 0.000 0.479 323 F N 0.630 120.706 119.950 0.211 0.000 2.084 323 F HA -0.055 4.472 4.527 -0.000 0.000 0.296 323 F C 2.319 178.119 175.800 -0.000 0.000 1.111 323 F CA 1.645 59.708 58.000 0.105 0.000 1.224 323 F CB -0.933 38.152 39.000 0.142 0.000 0.991 323 F HN -0.040 nan 8.300 nan 0.000 0.471 324 A N -0.402 122.517 122.820 0.164 0.000 1.930 324 A HA -0.177 4.143 4.320 0.000 0.000 0.217 324 A C 2.056 179.603 177.584 -0.061 0.000 1.175 324 A CA 1.887 53.957 52.037 0.055 0.000 0.627 324 A CB -0.582 18.514 19.000 0.159 0.000 0.815 324 A HN 0.639 nan 8.150 nan 0.000 0.443 325 Q N -1.615 118.159 119.800 -0.043 0.000 2.396 325 Q HA 0.150 4.490 4.340 0.000 0.000 0.220 325 Q C 1.611 177.495 176.000 -0.193 0.000 0.900 325 Q CA 0.827 56.617 55.803 -0.023 0.000 0.925 325 Q CB 0.589 29.433 28.738 0.177 0.000 1.065 325 Q HN 0.475 nan 8.270 nan 0.000 0.535 326 V N -0.391 119.295 119.914 -0.379 0.000 2.854 326 V HA -0.042 4.078 4.120 0.000 0.000 0.236 326 V C 1.748 177.527 176.094 -0.525 0.000 1.157 326 V CA 0.964 62.949 62.300 -0.526 0.000 1.187 326 V CB 0.081 31.372 31.823 -0.887 0.000 0.949 326 V HN 0.097 nan 8.190 nan 0.000 0.488 327 E N 0.895 120.709 120.200 -0.644 0.000 2.110 327 E HA -0.209 4.141 4.350 0.000 0.000 0.193 327 E C 2.115 178.453 176.600 -0.436 0.000 0.988 327 E CA 1.535 57.667 56.400 -0.447 0.000 0.804 327 E CB -0.138 29.340 29.700 -0.369 0.000 0.745 327 E HN 0.607 nan 8.360 nan 0.000 0.458 328 Q N -0.418 119.067 119.800 -0.525 0.000 2.425 328 Q HA 0.233 4.574 4.340 0.000 0.000 0.204 328 Q C 0.031 175.853 176.000 -0.297 0.000 0.933 328 Q CA 0.245 55.800 55.803 -0.412 0.000 0.939 328 Q CB 0.414 28.910 28.738 -0.405 0.000 1.044 328 Q HN 0.210 nan 8.270 nan 0.000 0.513 329 A N 1.079 123.718 122.820 -0.302 0.000 2.498 329 A HA 0.449 4.769 4.320 0.000 0.000 0.239 329 A C -0.189 177.137 177.584 -0.431 0.000 1.068 329 A CA 0.234 52.047 52.037 -0.374 0.000 0.766 329 A CB 0.248 19.034 19.000 -0.358 0.000 1.003 329 A HN 0.261 nan 8.150 nan 0.000 0.497 330 A N 2.149 124.581 122.820 -0.647 0.000 2.335 330 A HA 0.728 5.048 4.320 0.000 0.000 0.304 330 A C -0.959 176.181 177.584 -0.739 0.000 1.118 330 A CA -0.390 51.169 52.037 -0.796 0.000 0.757 330 A CB 0.446 18.820 19.000 -1.042 0.000 1.188 330 A HN 0.660 nan 8.150 nan 0.000 0.460 331 F N 1.468 121.348 119.950 -0.116 0.000 2.495 331 F HA 0.745 5.272 4.527 0.000 0.000 0.327 331 F C 0.498 176.435 175.800 0.230 0.000 1.103 331 F CA -0.306 57.702 58.000 0.015 0.000 0.949 331 F CB 2.566 41.536 39.000 -0.049 0.000 1.142 331 F HN 0.745 nan 8.300 nan 0.000 0.457 332 A N 3.890 126.850 122.820 0.234 0.000 2.459 332 A HA 0.608 4.928 4.320 0.000 0.000 0.296 332 A C -2.332 175.193 177.584 -0.098 0.000 1.039 332 A CA -1.434 50.619 52.037 0.026 0.000 0.698 332 A CB 1.612 20.714 19.000 0.170 0.000 1.261 332 A HN 0.433 nan 8.150 nan 0.000 0.405 333 P HA -0.146 nan 4.420 nan 0.000 0.225 333 P C 1.207 178.530 177.300 0.039 0.000 1.148 333 P CA 1.852 64.920 63.100 -0.054 0.000 0.779 333 P CB 0.077 31.714 31.700 -0.105 0.000 0.780 334 S N -1.951 113.750 115.700 0.001 0.000 2.561 334 S HA -0.001 4.469 4.470 0.000 0.000 0.225 334 S C 0.993 175.622 174.600 0.048 0.000 0.977 334 S CA 0.312 58.535 58.200 0.038 0.000 0.926 334 S CB -1.411 61.807 63.200 0.031 0.000 0.769 334 S HN 0.030 nan 8.310 nan 0.000 0.533 335 T N 2.912 117.494 114.554 0.046 0.000 2.992 335 T HA 0.436 4.786 4.350 0.000 0.000 0.299 335 T C -0.268 174.449 174.700 0.028 0.000 1.027 335 T CA 0.020 62.136 62.100 0.028 0.000 1.001 335 T CB 0.403 69.279 68.868 0.013 0.000 1.005 335 T HN 0.363 nan 8.240 nan 0.000 0.599 336 T N 2.189 116.759 114.554 0.028 0.000 2.906 336 T HA 0.648 4.998 4.350 0.000 0.000 0.295 336 T C -0.049 174.640 174.700 -0.018 0.000 1.061 336 T CA -0.704 61.414 62.100 0.031 0.000 1.000 336 T CB 1.145 70.075 68.868 0.102 0.000 1.103 336 T HN 0.367 nan 8.240 nan 0.000 0.486 337 V N 1.992 121.870 119.914 -0.059 0.000 3.134 337 V HA 0.730 4.850 4.120 0.000 0.000 0.313 337 V C -2.561 173.497 176.094 -0.061 0.000 1.069 337 V CA -2.509 59.742 62.300 -0.083 0.000 1.048 337 V CB 0.083 31.813 31.823 -0.155 0.000 1.119 337 V HN 0.708 nan 8.190 nan 0.000 0.461 338 P HA 0.100 nan 4.420 nan 0.000 0.266 338 P C -0.780 176.483 177.300 -0.062 0.000 1.186 338 P CA 0.959 63.949 63.100 -0.183 0.000 0.767 338 P CB -0.235 31.320 31.700 -0.241 0.000 0.820 339 Y N -1.481 118.831 120.300 0.020 0.000 4.929 339 Y HA -0.261 4.289 4.550 0.000 0.000 0.253 339 Y C 0.407 176.348 175.900 0.068 0.000 0.946 339 Y CA 0.901 59.040 58.100 0.064 0.000 1.905 339 Y CB -2.277 36.212 38.460 0.049 0.000 1.400 339 Y HN 0.467 nan 8.280 nan 0.000 0.531 340 Q N 0.945 120.813 119.800 0.113 0.000 2.327 340 Q HA 0.506 4.846 4.340 0.000 0.000 0.270 340 Q C -0.250 175.914 176.000 0.274 0.000 1.022 340 Q CA -0.618 55.266 55.803 0.136 0.000 0.773 340 Q CB 2.314 31.011 28.738 -0.069 0.000 1.251 340 Q HN 0.115 nan 8.270 nan 0.000 0.457 341 E N 0.750 121.203 120.200 0.423 0.000 2.410 341 E HA 0.634 4.984 4.350 0.000 0.000 0.269 341 E C -1.166 175.680 176.600 0.410 0.000 0.937 341 E CA -0.801 55.801 56.400 0.336 0.000 0.793 341 E CB 2.088 31.917 29.700 0.215 0.000 1.314 341 E HN 0.640 nan 8.360 nan 0.000 0.447 342 A N 0.875 123.826 122.820 0.218 0.000 2.316 342 A HA 0.483 4.803 4.320 0.000 0.000 0.284 342 A C 0.480 178.085 177.584 0.036 0.000 1.115 342 A CA -0.178 51.872 52.037 0.022 0.000 0.812 342 A CB 0.319 19.270 19.000 -0.082 0.000 1.064 342 A HN 0.563 nan 8.150 nan 0.000 0.489 343 S N 0.745 116.443 115.700 -0.003 0.000 2.686 343 S HA 0.535 5.005 4.470 0.000 0.000 0.270 343 S C 0.882 175.448 174.600 -0.057 0.000 1.194 343 S CA -0.026 58.275 58.200 0.168 0.000 0.990 343 S CB 1.094 64.548 63.200 0.423 0.000 1.029 343 S HN 1.663 nan 8.310 nan 0.000 0.560 344 A N -0.054 122.603 122.820 -0.271 0.000 2.261 344 A HA 0.154 4.474 4.320 0.000 0.000 0.208 344 A C 0.692 177.928 177.584 -0.580 0.000 1.223 344 A CA -0.016 51.619 52.037 -0.670 0.000 0.833 344 A CB -1.048 17.241 19.000 -1.187 0.000 0.830 344 A HN 0.837 nan 8.150 nan 0.000 0.483 345 D N 0.721 121.014 120.400 -0.178 0.000 2.502 345 D HA 0.019 4.659 4.640 0.000 0.000 0.249 345 D C -1.557 174.714 176.300 -0.049 0.000 1.188 345 D CA -1.241 52.793 54.000 0.058 0.000 0.890 345 D CB 1.010 41.870 40.800 0.099 0.000 1.140 345 D HN 0.095 nan 8.370 nan 0.000 0.505 346 P HA -0.140 nan 4.420 nan 0.000 0.216 346 P C 1.572 178.886 177.300 0.023 0.000 1.150 346 P CA 0.422 63.540 63.100 0.029 0.000 0.837 346 P CB 0.338 32.132 31.700 0.155 0.000 0.786 347 V N -0.481 119.475 119.914 0.070 0.000 2.323 347 V HA -0.181 3.939 4.120 0.000 0.000 0.244 347 V C 2.354 178.378 176.094 -0.117 0.000 1.041 347 V CA 1.410 63.747 62.300 0.061 0.000 1.025 347 V CB -1.240 30.715 31.823 0.220 0.000 0.656 347 V HN 0.046 nan 8.190 nan 0.000 0.451 348 L N 0.055 121.018 121.223 -0.434 0.000 2.083 348 L HA -0.164 4.176 4.340 0.000 0.000 0.209 348 L C 2.486 179.176 176.870 -0.299 0.000 1.083 348 L CA 1.863 56.308 54.840 -0.658 0.000 0.752 348 L CB -0.856 40.582 42.059 -1.035 0.000 0.899 348 L HN 0.290 nan 8.230 nan 0.000 0.433 349 Q N -0.258 119.412 119.800 -0.217 0.000 2.061 349 Q HA -0.177 4.163 4.340 0.000 0.000 0.204 349 Q C 2.290 178.251 176.000 -0.064 0.000 0.984 349 Q CA 1.927 57.646 55.803 -0.141 0.000 0.846 349 Q CB -0.627 28.019 28.738 -0.153 0.000 0.902 349 Q HN 0.675 nan 8.270 nan 0.000 0.421 350 A N 1.123 123.921 122.820 -0.036 0.000 1.972 350 A HA -0.171 4.149 4.320 0.000 0.000 0.219 350 A C 2.079 179.715 177.584 0.087 0.000 1.169 350 A CA 1.161 53.221 52.037 0.039 0.000 0.635 350 A CB -0.406 18.616 19.000 0.037 0.000 0.810 350 A HN 0.261 nan 8.150 nan 0.000 0.446 351 R N -0.431 120.082 120.500 0.022 0.000 2.189 351 R HA 0.031 4.371 4.340 0.000 0.000 0.223 351 R C 1.650 177.979 176.300 0.049 0.000 1.092 351 R CA 0.944 57.094 56.100 0.082 0.000 0.989 351 R CB -0.428 29.865 30.300 -0.011 0.000 0.876 351 R HN 0.510 nan 8.270 nan 0.000 0.457 352 L N -0.441 120.792 121.223 0.016 0.000 2.275 352 L HA -0.131 4.209 4.340 0.000 0.000 0.215 352 L C 2.011 178.939 176.870 0.097 0.000 1.119 352 L CA 0.872 55.729 54.840 0.028 0.000 0.790 352 L CB -0.264 41.804 42.059 0.014 0.000 0.919 352 L HN 0.169 nan 8.230 nan 0.000 0.443 353 F N -0.103 119.844 119.950 -0.004 0.000 2.243 353 F HA -0.017 4.510 4.527 -0.000 0.000 0.287 353 F C 2.534 178.338 175.800 0.007 0.000 1.067 353 F CA 1.029 59.027 58.000 -0.004 0.000 1.304 353 F CB -0.270 38.718 39.000 -0.020 0.000 1.087 353 F HN -0.166 nan 8.300 nan 0.000 0.513 354 S N 0.076 115.648 115.700 -0.214 0.000 2.374 354 S HA -0.224 4.246 4.470 0.000 0.000 0.227 354 S C 1.783 176.124 174.600 -0.432 0.000 1.037 354 S CA 1.861 59.824 58.200 -0.395 0.000 1.024 354 S CB -0.697 62.421 63.200 -0.137 0.000 0.861 354 S HN 0.489 nan 8.310 nan 0.000 0.456 355 Y N 1.292 121.335 120.300 -0.429 0.000 2.184 355 Y HA 0.107 4.657 4.550 -0.000 0.000 0.290 355 Y C 2.673 177.994 175.900 -0.965 0.000 1.129 355 Y CA 0.331 58.098 58.100 -0.554 0.000 1.144 355 Y CB -1.091 37.182 38.460 -0.311 0.000 0.995 355 Y HN 0.244 nan 8.280 nan 0.000 0.513 356 A N -0.143 122.409 122.820 -0.447 0.000 1.972 356 A HA -0.234 4.086 4.320 0.000 0.000 0.219 356 A C 1.860 179.187 177.584 -0.427 0.000 1.169 356 A CA 1.991 53.806 52.037 -0.369 0.000 0.635 356 A CB -0.903 18.071 19.000 -0.044 0.000 0.810 356 A HN 0.484 nan 8.150 nan 0.000 0.446 357 D N -0.167 119.920 120.400 -0.520 0.000 2.117 357 D HA -0.024 4.616 4.640 0.000 0.000 0.197 357 D C 1.978 178.071 176.300 -0.345 0.000 0.987 357 D CA 1.541 55.259 54.000 -0.470 0.000 0.829 357 D CB -0.180 40.104 40.800 -0.859 0.000 0.961 357 D HN 0.327 nan 8.370 nan 0.000 0.460 358 A N -0.719 121.842 122.820 -0.432 0.000 1.969 358 A HA -0.157 4.163 4.320 0.000 0.000 0.218 358 A C 1.900 179.361 177.584 -0.204 0.000 1.169 358 A CA 1.571 53.444 52.037 -0.274 0.000 0.635 358 A CB -1.000 17.805 19.000 -0.324 0.000 0.810 358 A HN 0.506 nan 8.150 nan 0.000 0.445 359 H N -0.921 117.918 119.070 -0.386 0.000 2.423 359 H HA -0.021 4.535 4.556 -0.000 0.000 0.297 359 H C 2.366 177.363 175.328 -0.552 0.000 1.075 359 H CA 1.073 56.725 56.048 -0.660 0.000 1.342 359 H CB 0.022 28.925 29.762 -1.431 0.000 1.395 359 H HN 0.408 nan 8.280 nan 0.000 0.530 360 R N -0.085 120.269 120.500 -0.243 0.000 2.092 360 R HA -0.153 4.187 4.340 0.000 0.000 0.231 360 R C 1.887 178.227 176.300 0.068 0.000 1.119 360 R CA 1.386 57.498 56.100 0.020 0.000 0.970 360 R CB -0.233 30.116 30.300 0.081 0.000 0.864 360 R HN 0.368 nan 8.270 nan 0.000 0.440 361 Y N 1.321 121.580 120.300 -0.068 0.000 2.114 361 Y HA -0.127 4.423 4.550 -0.000 0.000 0.284 361 Y C 2.538 178.422 175.900 -0.026 0.000 1.119 361 Y CA 1.368 59.446 58.100 -0.036 0.000 1.108 361 Y CB -0.241 38.191 38.460 -0.048 0.000 0.995 361 Y HN -0.203 nan 8.280 nan 0.000 0.491 362 R N -0.149 120.283 120.500 -0.114 0.000 2.091 362 R HA -0.146 4.194 4.340 0.000 0.000 0.238 362 R C 1.883 178.088 176.300 -0.158 0.000 1.136 362 R CA 2.285 58.278 56.100 -0.178 0.000 0.959 362 R CB -0.324 29.971 30.300 -0.008 0.000 0.856 362 R HN 0.499 nan 8.270 nan 0.000 0.437 363 L N -1.857 119.305 121.223 -0.101 0.000 2.362 363 L HA 0.368 4.708 4.340 0.000 0.000 0.204 363 L C 0.787 177.663 176.870 0.010 0.000 1.060 363 L CA 0.277 55.088 54.840 -0.048 0.000 0.827 363 L CB 0.681 42.720 42.059 -0.034 0.000 1.027 363 L HN 0.462 nan 8.230 nan 0.000 0.474 364 G N -1.242 107.589 108.800 0.052 0.000 2.326 364 G HA2 -0.021 3.939 3.960 0.000 0.000 0.413 364 G HA3 -0.021 3.939 3.960 0.000 0.000 0.413 364 G C -2.676 172.358 174.900 0.222 0.000 1.444 364 G CA -0.764 44.391 45.100 0.092 0.000 1.002 364 G HN -0.259 nan 8.290 nan 0.000 0.649 365 P HA -0.076 nan 4.420 nan 0.000 0.216 365 P C 0.998 178.430 177.300 0.220 0.000 1.150 365 P CA 1.222 64.447 63.100 0.209 0.000 0.843 365 P CB 0.155 31.930 31.700 0.125 0.000 0.787 366 N N -0.866 117.893 118.700 0.099 0.000 2.453 366 N HA 0.089 4.829 4.740 0.000 0.000 0.270 366 N C 0.772 176.123 175.510 -0.265 0.000 1.195 366 N CA -0.214 52.758 53.050 -0.130 0.000 0.902 366 N CB -0.381 38.008 38.487 -0.163 0.000 1.186 366 N HN 0.221 nan 8.380 nan 0.000 0.510 367 F N 0.977 120.899 119.950 -0.046 0.000 2.250 367 F HA -0.136 4.391 4.527 0.000 0.000 0.301 367 F C 2.159 177.890 175.800 -0.114 0.000 1.077 367 F CA 1.021 58.975 58.000 -0.077 0.000 1.348 367 F CB -0.761 38.219 39.000 -0.034 0.000 1.040 367 F HN 0.180 nan 8.300 nan 0.000 0.509 368 H N 0.203 118.689 119.070 -0.973 0.000 2.561 368 H HA 0.044 4.600 4.556 -0.000 0.000 0.278 368 H C 1.024 176.147 175.328 -0.343 0.000 1.014 368 H CA 1.103 56.728 56.048 -0.704 0.000 1.211 368 H CB -0.811 28.402 29.762 -0.914 0.000 1.365 368 H HN 0.539 nan 8.280 nan 0.000 0.594 369 Q N 0.651 120.085 119.800 -0.609 0.000 2.408 369 Q HA 0.249 4.589 4.340 0.000 0.000 0.205 369 Q C 0.457 176.355 176.000 -0.170 0.000 0.919 369 Q CA -0.227 55.365 55.803 -0.352 0.000 0.932 369 Q CB 0.807 29.320 28.738 -0.376 0.000 1.058 369 Q HN 0.423 nan 8.270 nan 0.000 0.517 370 I N 2.693 123.180 120.570 -0.138 0.000 2.598 370 I HA -0.055 4.115 4.170 0.000 0.000 0.284 370 I C -1.566 174.524 176.117 -0.045 0.000 1.140 370 I CA -1.391 59.869 61.300 -0.067 0.000 1.420 370 I CB 0.628 38.598 38.000 -0.051 0.000 1.387 370 I HN -0.093 nan 8.210 nan 0.000 0.553 371 P HA -0.240 nan 4.420 nan 0.000 0.217 371 P C 1.631 178.948 177.300 0.028 0.000 1.158 371 P CA 1.433 64.525 63.100 -0.012 0.000 0.887 371 P CB -0.008 31.676 31.700 -0.027 0.000 0.792 372 V N -3.028 116.915 119.914 0.048 0.000 2.759 372 V HA -0.127 3.993 4.120 0.000 0.000 0.256 372 V C 1.522 177.693 176.094 0.128 0.000 1.080 372 V CA 1.956 64.335 62.300 0.132 0.000 1.101 372 V CB -1.389 30.481 31.823 0.079 0.000 0.698 372 V HN 0.071 nan 8.190 nan 0.000 0.477 373 N N -0.425 118.288 118.700 0.021 0.000 2.353 373 N HA 0.099 4.839 4.740 0.000 0.000 0.185 373 N C 0.674 176.207 175.510 0.037 0.000 1.098 373 N CA 0.644 53.684 53.050 -0.017 0.000 0.872 373 N CB -0.018 38.444 38.487 -0.042 0.000 0.970 373 N HN 0.590 nan 8.380 nan 0.000 0.467 374 C N 4.400 123.750 119.300 0.082 0.000 2.632 374 C HA 0.211 4.671 4.460 0.000 0.000 0.415 374 C C -1.859 173.255 174.990 0.206 0.000 1.332 374 C CA -1.442 57.637 59.018 0.102 0.000 1.874 374 C CB 0.085 27.869 27.740 0.074 0.000 2.596 374 C HN 0.234 nan 8.230 nan 0.000 0.590 375 P HA 0.079 nan 4.420 nan 0.000 0.252 375 P C -0.060 177.310 177.300 0.117 0.000 1.727 375 P CA 0.158 63.349 63.100 0.151 0.000 1.134 375 P CB -0.447 31.309 31.700 0.093 0.000 1.876 376 Y N 1.712 122.061 120.300 0.081 0.000 2.352 376 Y HA 0.089 4.639 4.550 -0.000 0.000 0.292 376 Y C 1.963 177.878 175.900 0.024 0.000 1.136 376 Y CA 1.001 59.106 58.100 0.009 0.000 1.227 376 Y CB -1.248 37.154 38.460 -0.096 0.000 0.991 376 Y HN 0.227 nan 8.280 nan 0.000 0.545 377 A N -0.361 122.235 122.820 -0.373 0.000 2.169 377 A HA 0.226 4.546 4.320 0.000 0.000 0.212 377 A C 1.119 178.661 177.584 -0.070 0.000 1.153 377 A CA 0.672 52.582 52.037 -0.212 0.000 0.756 377 A CB -0.310 18.484 19.000 -0.343 0.000 0.813 377 A HN 0.309 nan 8.150 nan 0.000 0.471 378 S N 0.100 115.781 115.700 -0.030 0.000 2.413 378 S HA 0.295 4.765 4.470 0.000 0.000 0.170 378 S C -0.824 173.824 174.600 0.080 0.000 1.294 378 S CA -0.684 57.526 58.200 0.017 0.000 1.201 378 S CB -0.205 62.994 63.200 -0.000 0.000 1.328 378 S HN 0.390 nan 8.310 nan 0.000 0.418 379 K N 2.128 122.590 120.400 0.103 0.000 2.524 379 K HA 0.073 4.393 4.320 0.000 0.000 0.279 379 K C 0.057 176.807 176.600 0.251 0.000 0.993 379 K CA 0.060 56.451 56.287 0.173 0.000 1.030 379 K CB 0.186 32.768 32.500 0.136 0.000 0.891 379 K HN 0.545 nan 8.250 nan 0.000 0.488 380 F N 4.974 125.036 119.950 0.187 0.000 2.543 380 F HA 0.199 4.726 4.527 0.000 0.000 0.375 380 F C -0.785 175.270 175.800 0.425 0.000 1.075 380 F CA -0.424 57.723 58.000 0.245 0.000 1.225 380 F CB 0.008 39.156 39.000 0.247 0.000 1.099 380 F HN 0.355 nan 8.300 nan 0.000 0.561 381 F N 8.155 127.936 119.950 -0.280 0.000 2.730 381 F HA 0.391 4.918 4.527 -0.000 0.000 0.335 381 F C -1.834 173.658 175.800 -0.514 0.000 1.212 381 F CA -0.934 56.665 58.000 -0.670 0.000 1.016 381 F CB 0.724 39.436 39.000 -0.479 0.000 1.290 381 F HN 0.568 nan 8.300 nan 0.000 0.495 382 N N 8.312 126.270 118.700 -1.236 0.000 2.572 382 N HA 0.325 5.065 4.740 0.000 0.000 0.287 382 N C -2.398 172.696 175.510 -0.693 0.000 1.136 382 N CA -1.638 50.929 53.050 -0.804 0.000 0.900 382 N CB 2.984 41.397 38.487 -0.124 0.000 1.484 382 N HN 0.264 nan 8.380 nan 0.000 0.526 383 P HA -0.096 nan 4.420 nan 0.000 0.218 383 P C 0.680 177.938 177.300 -0.069 0.000 1.148 383 P CA 0.986 63.873 63.100 -0.356 0.000 0.822 383 P CB 0.418 31.921 31.700 -0.328 0.000 0.784 384 A N -1.041 121.737 122.820 -0.070 0.000 2.275 384 A HA 0.202 4.522 4.320 0.000 0.000 0.212 384 A C 1.262 178.901 177.584 0.092 0.000 1.201 384 A CA -0.101 51.953 52.037 0.028 0.000 0.843 384 A CB -0.564 18.437 19.000 0.002 0.000 0.873 384 A HN 0.132 nan 8.150 nan 0.000 0.492 385 I N 2.139 122.806 120.570 0.161 0.000 2.310 385 I HA 0.318 4.488 4.170 0.000 0.000 0.287 385 I C -0.315 175.995 176.117 0.322 0.000 1.073 385 I CA -0.421 61.029 61.300 0.251 0.000 1.216 385 I CB 0.302 38.520 38.000 0.363 0.000 1.415 385 I HN 0.148 nan 8.210 nan 0.000 0.480 386 R N 3.836 124.459 120.500 0.206 0.000 2.855 386 R HA 0.553 4.893 4.340 0.000 0.000 0.266 386 R C -0.388 175.979 176.300 0.112 0.000 1.034 386 R CA -0.973 55.225 56.100 0.165 0.000 0.944 386 R CB 0.980 31.371 30.300 0.152 0.000 1.219 386 R HN 0.491 nan 8.270 nan 0.000 0.474 387 D N -0.186 120.259 120.400 0.075 0.000 3.301 387 D HA -0.181 4.459 4.640 0.000 0.000 0.217 387 D C 0.367 176.698 176.300 0.051 0.000 1.548 387 D CA 2.132 56.163 54.000 0.053 0.000 1.118 387 D CB -1.030 39.804 40.800 0.056 0.000 0.684 387 D HN 0.905 nan 8.370 nan 0.000 0.821 388 G N -1.040 107.789 108.800 0.048 0.000 2.705 388 G HA2 0.144 4.104 3.960 0.000 0.000 0.686 388 G HA3 0.144 4.104 3.960 0.000 0.000 0.686 388 G C -2.747 172.171 174.900 0.030 0.000 1.285 388 G CA -0.339 44.790 45.100 0.048 0.000 0.800 388 G HN 0.569 nan 8.290 nan 0.000 0.611 389 P HA 0.266 nan 4.420 nan 0.000 0.265 389 P C 0.753 178.058 177.300 0.008 0.000 1.193 389 P CA 0.403 63.516 63.100 0.020 0.000 0.765 389 P CB 0.571 32.285 31.700 0.024 0.000 0.823 390 M N -0.770 118.831 119.600 0.001 0.000 2.297 390 M HA -0.186 4.294 4.480 0.000 0.000 0.200 390 M C -0.032 176.246 176.300 -0.036 0.000 0.414 390 M CA 0.393 55.686 55.300 -0.011 0.000 0.449 390 M CB -2.697 29.899 32.600 -0.005 0.000 1.436 390 M HN 0.504 nan 8.290 nan 0.000 0.912 391 N N 1.595 120.275 118.700 -0.033 0.000 2.415 391 N HA 0.354 5.094 4.740 0.000 0.000 0.250 391 N C 0.930 176.406 175.510 -0.057 0.000 1.127 391 N CA 0.293 53.310 53.050 -0.056 0.000 0.945 391 N CB 0.832 39.297 38.487 -0.037 0.000 1.196 391 N HN 0.409 nan 8.380 nan 0.000 0.499 392 V N 1.250 121.120 119.914 -0.073 0.000 3.643 392 V HA 0.180 4.300 4.120 0.000 0.000 0.280 392 V C 1.220 177.277 176.094 -0.061 0.000 1.351 392 V CA 0.129 62.395 62.300 -0.057 0.000 1.073 392 V CB -0.202 31.592 31.823 -0.048 0.000 0.863 392 V HN 0.549 nan 8.190 nan 0.000 0.436 393 N N 1.325 119.974 118.700 -0.085 0.000 2.322 393 N HA 0.309 5.049 4.740 0.000 0.000 0.194 393 N C 1.364 176.822 175.510 -0.087 0.000 1.126 393 N CA 0.793 53.797 53.050 -0.077 0.000 0.845 393 N CB 0.617 39.059 38.487 -0.075 0.000 0.976 393 N HN 0.813 nan 8.380 nan 0.000 0.475 394 G N 0.750 109.499 108.800 -0.085 0.000 2.218 394 G HA2 -0.329 3.631 3.960 0.000 0.000 0.216 394 G HA3 -0.329 3.631 3.960 0.000 0.000 0.216 394 G C 0.281 175.129 174.900 -0.086 0.000 0.994 394 G CA -0.047 45.015 45.100 -0.063 0.000 0.637 394 G HN 0.530 nan 8.290 nan 0.000 0.505 395 N N -0.983 117.600 118.700 -0.194 0.000 2.721 395 N HA -0.208 4.532 4.740 0.000 0.000 0.249 395 N C 0.718 176.161 175.510 -0.111 0.000 1.072 395 N CA 1.637 54.554 53.050 -0.222 0.000 0.710 395 N CB -1.639 36.810 38.487 -0.064 0.000 0.993 395 N HN 1.341 nan 8.380 nan 0.000 0.547 396 F N -3.002 116.978 119.950 0.049 0.000 3.093 396 F HA -0.221 4.306 4.527 -0.000 0.000 0.283 396 F C 1.869 177.696 175.800 0.045 0.000 0.848 396 F CA 2.043 60.075 58.000 0.053 0.000 1.059 396 F CB -1.832 37.230 39.000 0.102 0.000 1.191 396 F HN 0.641 nan 8.300 nan 0.000 0.514 397 G N 0.408 109.297 108.800 0.147 0.000 2.622 397 G HA2 -0.357 3.603 3.960 0.000 0.000 0.307 397 G HA3 -0.357 3.603 3.960 0.000 0.000 0.307 397 G C 0.890 175.855 174.900 0.108 0.000 1.226 397 G CA 1.515 46.674 45.100 0.098 0.000 0.997 397 G HN 1.519 nan 8.290 nan 0.000 0.551 398 S N 0.783 116.536 115.700 0.088 0.000 2.634 398 S HA 0.341 4.811 4.470 0.000 0.000 0.221 398 S C 0.561 175.219 174.600 0.098 0.000 0.952 398 S CA 0.789 59.038 58.200 0.083 0.000 0.930 398 S CB 0.355 63.588 63.200 0.055 0.000 0.780 398 S HN 0.599 nan 8.310 nan 0.000 0.498 399 E N 3.521 123.800 120.200 0.130 0.000 2.529 399 E HA 0.147 4.497 4.350 0.000 0.000 0.259 399 E C -2.304 174.380 176.600 0.140 0.000 0.966 399 E CA -1.416 55.067 56.400 0.138 0.000 0.937 399 E CB 0.065 29.890 29.700 0.208 0.000 0.923 399 E HN 0.279 nan 8.360 nan 0.000 0.468 400 P HA -0.063 nan 4.420 nan 0.000 0.264 400 P C 0.520 177.906 177.300 0.143 0.000 1.179 400 P CA 0.484 63.660 63.100 0.127 0.000 0.763 400 P CB 0.352 32.040 31.700 -0.019 0.000 0.806 401 T N -0.812 113.892 114.554 0.250 0.000 3.219 401 T HA 0.174 4.524 4.350 0.000 0.000 0.249 401 T C 0.237 175.087 174.700 0.251 0.000 1.099 401 T CA 0.181 62.407 62.100 0.211 0.000 0.988 401 T CB -0.968 68.010 68.868 0.184 0.000 0.999 401 T HN 0.470 nan 8.240 nan 0.000 0.550 402 Y N -1.232 119.068 120.300 0.001 0.000 2.896 402 Y HA 0.657 5.207 4.550 -0.000 0.000 0.317 402 Y C -1.370 174.485 175.900 -0.076 0.000 1.444 402 Y CA -2.684 55.389 58.100 -0.045 0.000 1.084 402 Y CB 0.623 39.073 38.460 -0.017 0.000 1.382 402 Y HN -0.138 nan 8.280 nan 0.000 0.471 403 L N 2.791 123.774 121.223 -0.399 0.000 2.358 403 L HA 0.628 4.968 4.340 0.000 0.000 0.274 403 L C 0.256 176.851 176.870 -0.458 0.000 1.136 403 L CA -0.694 53.823 54.840 -0.538 0.000 0.970 403 L CB -0.017 41.790 42.059 -0.421 0.000 1.314 403 L HN 0.763 nan 8.230 nan 0.000 0.427 404 A N 2.058 124.507 122.820 -0.618 0.000 2.488 404 A HA 0.118 4.438 4.320 0.000 0.000 0.249 404 A C 1.099 178.681 177.584 -0.003 0.000 1.083 404 A CA -0.318 51.455 52.037 -0.440 0.000 0.768 404 A CB 0.166 18.973 19.000 -0.322 0.000 1.017 404 A HN 0.698 nan 8.150 nan 0.000 0.496 405 N N 1.134 119.866 118.700 0.053 0.000 2.520 405 N HA -0.114 4.626 4.740 0.000 0.000 0.185 405 N C 0.578 176.108 175.510 0.033 0.000 1.068 405 N CA 1.227 54.321 53.050 0.073 0.000 0.911 405 N CB 0.203 38.742 38.487 0.085 0.000 0.961 405 N HN 0.875 nan 8.380 nan 0.000 0.446 406 D N -0.534 119.872 120.400 0.010 0.000 2.368 406 D HA 0.026 4.666 4.640 0.000 0.000 0.218 406 D C 0.024 176.280 176.300 -0.073 0.000 1.112 406 D CA 0.067 54.055 54.000 -0.019 0.000 0.834 406 D CB 0.395 41.194 40.800 -0.001 0.000 0.953 406 D HN -0.062 nan 8.370 nan 0.000 0.505 407 K N 0.095 120.422 120.400 -0.121 0.000 2.295 407 K HA 0.406 4.726 4.320 0.000 0.000 0.239 407 K C -0.665 175.680 176.600 -0.425 0.000 0.991 407 K CA -0.775 55.338 56.287 -0.290 0.000 0.845 407 K CB 2.275 34.547 32.500 -0.381 0.000 1.197 407 K HN -0.048 nan 8.250 nan 0.000 0.441 408 S N 1.037 116.394 115.700 -0.572 0.000 2.509 408 S HA 0.656 5.126 4.470 0.000 0.000 0.297 408 S C -1.515 172.627 174.600 -0.763 0.000 1.118 408 S CA -0.510 57.403 58.200 -0.477 0.000 1.074 408 S CB 0.317 63.353 63.200 -0.273 0.000 1.038 408 S HN 0.422 nan 8.310 nan 0.000 0.498 409 Y N 0.912 121.158 120.300 -0.091 0.000 2.504 409 Y HA 0.431 4.981 4.550 -0.000 0.000 0.344 409 Y C 0.167 175.876 175.900 -0.319 0.000 1.023 409 Y CA -0.844 57.142 58.100 -0.191 0.000 1.020 409 Y CB 2.308 40.634 38.460 -0.223 0.000 1.282 409 Y HN 0.501 nan 8.280 nan 0.000 0.454 410 T N 2.711 117.104 114.554 -0.268 0.000 2.779 410 T HA 0.454 4.804 4.350 0.000 0.000 0.280 410 T C -1.443 172.949 174.700 -0.513 0.000 0.987 410 T CA -0.692 61.240 62.100 -0.280 0.000 0.966 410 T CB 0.157 68.946 68.868 -0.132 0.000 0.933 410 T HN 0.314 nan 8.240 nan 0.000 0.442 411 Y N 3.708 124.035 120.300 0.045 0.000 2.388 411 Y HA 0.476 5.026 4.550 -0.000 0.000 0.328 411 Y C 0.735 176.642 175.900 0.011 0.000 0.963 411 Y CA -1.505 56.607 58.100 0.020 0.000 1.240 411 Y CB 0.231 38.694 38.460 0.005 0.000 1.118 411 Y HN 0.590 nan 8.280 nan 0.000 0.484 412 I N -0.119 120.507 120.570 0.094 0.000 2.886 412 I HA 0.368 4.538 4.170 0.000 0.000 0.299 412 I C 0.157 176.310 176.117 0.059 0.000 1.044 412 I CA -0.912 60.425 61.300 0.061 0.000 1.310 412 I CB 0.878 38.898 38.000 0.032 0.000 1.441 412 I HN 0.714 nan 8.210 nan 0.000 0.578 413 Q N 1.631 121.457 119.800 0.043 0.000 2.451 413 Q HA -0.220 4.120 4.340 0.000 0.000 0.305 413 Q C 0.711 176.716 176.000 0.008 0.000 1.345 413 Q CA 0.671 56.488 55.803 0.024 0.000 0.854 413 Q CB -1.192 27.543 28.738 -0.005 0.000 1.162 413 Q HN 0.788 nan 8.270 nan 0.000 0.440 414 Q N 0.015 119.832 119.800 0.028 0.000 2.170 414 Q HA -0.164 4.176 4.340 0.000 0.000 0.203 414 Q C 0.788 176.782 176.000 -0.010 0.000 0.976 414 Q CA 1.259 57.071 55.803 0.014 0.000 0.858 414 Q CB 0.187 28.944 28.738 0.031 0.000 0.907 414 Q HN 0.494 nan 8.270 nan 0.000 0.433 415 D N 0.148 120.546 120.400 -0.004 0.000 2.340 415 D HA -0.011 4.629 4.640 0.000 0.000 0.220 415 D C 0.290 176.571 176.300 -0.031 0.000 1.039 415 D CA 0.150 54.143 54.000 -0.012 0.000 0.866 415 D CB 0.075 40.878 40.800 0.006 0.000 0.913 415 D HN 0.098 nan 8.370 nan 0.000 0.523 416 R N 2.595 123.065 120.500 -0.051 0.000 2.347 416 R HA 0.162 4.502 4.340 0.000 0.000 0.304 416 R C -2.349 173.855 176.300 -0.160 0.000 1.072 416 R CA -1.059 54.975 56.100 -0.109 0.000 0.980 416 R CB 0.709 30.898 30.300 -0.186 0.000 0.986 416 R HN -0.126 nan 8.270 nan 0.000 0.448 417 P HA 0.069 nan 4.420 nan 0.000 0.275 417 P C 0.225 177.408 177.300 -0.194 0.000 1.228 417 P CA -0.145 62.807 63.100 -0.246 0.000 0.786 417 P CB 1.127 32.558 31.700 -0.447 0.000 0.927 418 I N 1.191 121.717 120.570 -0.072 0.000 2.368 418 I HA -0.065 4.105 4.170 0.000 0.000 0.238 418 I C 1.752 177.919 176.117 0.084 0.000 1.076 418 I CA 1.067 62.356 61.300 -0.018 0.000 1.397 418 I CB -0.143 37.846 38.000 -0.019 0.000 1.141 418 I HN 0.363 nan 8.210 nan 0.000 0.430 419 Q N -0.585 119.271 119.800 0.092 0.000 2.036 419 Q HA 0.084 4.424 4.340 0.000 0.000 0.208 419 Q C 1.414 177.440 176.000 0.043 0.000 0.770 419 Q CA -0.120 55.721 55.803 0.063 0.000 0.992 419 Q CB 1.163 29.907 28.738 0.011 0.000 1.209 419 Q HN 0.303 nan 8.270 nan 0.000 0.445 420 Q N 0.028 119.893 119.800 0.109 0.000 2.135 420 Q HA -0.198 4.142 4.340 0.000 0.000 0.204 420 Q C 1.448 177.480 176.000 0.053 0.000 0.981 420 Q CA 2.059 57.897 55.803 0.059 0.000 0.856 420 Q CB -0.579 28.187 28.738 0.046 0.000 0.902 420 Q HN 0.668 nan 8.270 nan 0.000 0.425 421 H N -1.746 117.260 119.070 -0.106 0.000 2.556 421 H HA 0.177 4.733 4.556 0.000 0.000 0.268 421 H C 0.896 176.117 175.328 -0.178 0.000 0.996 421 H CA -0.161 55.838 56.048 -0.083 0.000 1.157 421 H CB 0.218 29.967 29.762 -0.021 0.000 1.355 421 H HN 0.198 nan 8.280 nan 0.000 0.597 422 Q N 0.871 120.276 119.800 -0.658 0.000 3.028 422 Q HA 0.171 4.511 4.340 0.000 0.000 0.204 422 Q C -0.235 175.481 176.000 -0.472 0.000 1.155 422 Q CA -0.850 54.353 55.803 -0.999 0.000 0.447 422 Q CB 0.519 28.380 28.738 -1.461 0.000 5.412 422 Q HN 0.361 nan 8.270 nan 0.000 0.322 423 E N 0.521 120.407 120.200 -0.523 0.000 2.398 423 E HA 0.138 4.488 4.350 0.000 0.000 0.263 423 E C -1.158 174.994 176.600 -0.747 0.000 1.046 423 E CA -0.017 56.021 56.400 -0.604 0.000 0.908 423 E CB 0.550 29.620 29.700 -1.050 0.000 0.963 423 E HN 0.072 nan 8.360 nan 0.000 0.431 424 V N 2.996 122.544 119.914 -0.610 0.000 2.394 424 V HA 0.289 4.409 4.120 0.000 0.000 0.282 424 V C -0.697 175.104 176.094 -0.489 0.000 1.031 424 V CA -0.677 61.370 62.300 -0.422 0.000 0.881 424 V CB 0.264 31.975 31.823 -0.186 0.000 0.982 424 V HN 0.584 nan 8.190 nan 0.000 0.451 425 W N 3.339 124.627 121.300 -0.020 0.000 2.516 425 W HA 0.632 5.292 4.660 -0.000 0.000 0.343 425 W C 0.229 176.729 176.519 -0.032 0.000 1.094 425 W CA -0.340 56.986 57.345 -0.031 0.000 1.250 425 W CB 1.085 30.510 29.460 -0.057 0.000 1.308 425 W HN 0.454 nan 8.180 nan 0.000 0.588 426 N N 0.687 119.517 118.700 0.216 0.000 2.287 426 N HA 0.674 5.414 4.740 0.000 0.000 0.289 426 N C -0.706 174.845 175.510 0.068 0.000 1.066 426 N CA -0.013 53.098 53.050 0.102 0.000 0.841 426 N CB 1.953 40.474 38.487 0.057 0.000 1.599 426 N HN 0.723 nan 8.380 nan 0.000 0.476 427 G N 1.870 110.690 108.800 0.033 0.000 2.333 427 G HA2 0.151 4.111 3.960 0.000 0.000 0.330 427 G HA3 0.151 4.111 3.960 0.000 0.000 0.330 427 G C -2.789 172.103 174.900 -0.012 0.000 1.465 427 G CA -0.813 44.288 45.100 0.001 0.000 0.996 427 G HN 0.593 nan 8.290 nan 0.000 0.655 428 P HA 0.615 nan 4.420 nan 0.000 0.277 428 P C 0.070 177.344 177.300 -0.043 0.000 1.276 428 P CA 0.126 63.210 63.100 -0.026 0.000 0.788 428 P CB 0.699 32.388 31.700 -0.018 0.000 1.114 429 A N 1.110 123.905 122.820 -0.041 0.000 2.437 429 A HA 0.376 4.696 4.320 0.000 0.000 0.303 429 A C 0.395 177.956 177.584 -0.038 0.000 1.324 429 A CA -0.427 51.579 52.037 -0.052 0.000 0.983 429 A CB -1.170 17.802 19.000 -0.046 0.000 1.142 429 A HN 0.440 nan 8.150 nan 0.000 0.541 430 I N 5.099 125.641 120.570 -0.046 0.000 2.321 430 I HA 0.274 4.444 4.170 0.000 0.000 0.291 430 I C -1.644 174.485 176.117 0.021 0.000 0.998 430 I CA -1.848 59.445 61.300 -0.013 0.000 1.227 430 I CB 1.834 39.813 38.000 -0.035 0.000 1.368 430 I HN 0.542 nan 8.210 nan 0.000 0.466 431 P HA 0.133 nan 4.420 nan 0.000 0.275 431 P C -1.495 175.900 177.300 0.158 0.000 1.276 431 P CA 0.063 63.207 63.100 0.073 0.000 0.782 431 P CB 0.412 32.137 31.700 0.042 0.000 0.851 432 Y N 2.313 122.615 120.300 0.004 0.000 2.425 432 Y HA 0.355 4.905 4.550 -0.000 0.000 0.344 432 Y C -0.811 175.161 175.900 0.120 0.000 0.969 432 Y CA -0.991 57.128 58.100 0.032 0.000 1.052 432 Y CB 1.988 40.423 38.460 -0.041 0.000 1.215 432 Y HN 0.511 nan 8.280 nan 0.000 0.451 433 H N 6.194 124.987 119.070 -0.461 0.000 2.685 433 H HA 0.141 4.697 4.556 0.000 0.000 0.307 433 H C -1.117 173.894 175.328 -0.528 0.000 1.017 433 H CA -0.820 55.040 56.048 -0.313 0.000 1.237 433 H CB 0.566 30.220 29.762 -0.179 0.000 1.409 433 H HN 0.838 nan 8.280 nan 0.000 0.488 434 W N 6.240 127.365 121.300 -0.291 0.000 1.395 434 W HA 0.341 5.001 4.660 0.000 0.000 0.451 434 W C -0.254 176.183 176.519 -0.137 0.000 0.619 434 W CA -0.802 56.412 57.345 -0.218 0.000 2.212 434 W CB -1.405 28.134 29.460 0.131 0.000 1.537 434 W HN 0.655 nan 8.180 nan 0.000 0.275 435 A N 1.560 124.261 122.820 -0.199 0.000 2.492 435 A HA 0.185 4.505 4.320 0.000 0.000 0.236 435 A C 0.828 178.335 177.584 -0.129 0.000 1.078 435 A CA 0.159 52.022 52.037 -0.290 0.000 0.773 435 A CB 0.009 18.687 19.000 -0.536 0.000 1.023 435 A HN 0.308 nan 8.150 nan 0.000 0.504 436 T N 2.711 117.194 114.554 -0.119 0.000 2.822 436 T HA 0.175 4.525 4.350 0.000 0.000 0.288 436 T C 0.742 175.430 174.700 -0.019 0.000 0.991 436 T CA 0.494 62.544 62.100 -0.084 0.000 1.176 436 T CB -0.325 68.517 68.868 -0.044 0.000 0.951 436 T HN 0.637 nan 8.240 nan 0.000 0.526 437 S N 5.586 121.291 115.700 0.008 0.000 2.563 437 S HA 0.149 4.619 4.470 0.000 0.000 0.284 437 S C -1.522 173.122 174.600 0.074 0.000 1.331 437 S CA -1.041 57.199 58.200 0.066 0.000 1.047 437 S CB 0.029 63.286 63.200 0.096 0.000 0.859 437 S HN 0.594 nan 8.310 nan 0.000 0.514 438 P HA 0.286 nan 4.420 nan 0.000 0.265 438 P C 0.688 178.024 177.300 0.059 0.000 1.193 438 P CA 0.472 63.601 63.100 0.049 0.000 0.765 438 P CB 0.160 31.882 31.700 0.036 0.000 0.823 439 G N 3.269 112.092 108.800 0.038 0.000 2.475 439 G HA2 -0.232 3.728 3.960 0.000 0.000 0.223 439 G HA3 -0.232 3.728 3.960 0.000 0.000 0.223 439 G C 0.100 175.034 174.900 0.056 0.000 1.201 439 G CA 0.493 45.611 45.100 0.030 0.000 0.962 439 G HN 0.528 nan 8.290 nan 0.000 0.586 440 D N -1.127 119.322 120.400 0.080 0.000 2.441 440 D HA 0.315 4.955 4.640 0.000 0.000 0.210 440 D C 2.278 178.683 176.300 0.175 0.000 1.102 440 D CA 1.195 55.271 54.000 0.126 0.000 0.840 440 D CB 0.796 41.630 40.800 0.058 0.000 0.990 440 D HN 0.679 nan 8.370 nan 0.000 0.505 441 V N 0.631 120.626 119.914 0.135 0.000 2.380 441 V HA -0.188 3.932 4.120 0.000 0.000 0.251 441 V C 0.742 176.868 176.094 0.054 0.000 1.063 441 V CA 2.125 64.489 62.300 0.107 0.000 1.055 441 V CB -0.206 31.684 31.823 0.113 0.000 0.657 441 V HN 0.140 nan 8.190 nan 0.000 0.455 442 D N -1.397 119.028 120.400 0.042 0.000 2.340 442 D HA 0.079 4.719 4.640 0.000 0.000 0.220 442 D C 1.155 177.227 176.300 -0.380 0.000 1.039 442 D CA 0.575 54.474 54.000 -0.167 0.000 0.866 442 D CB 0.216 40.876 40.800 -0.233 0.000 0.913 442 D HN 0.596 nan 8.370 nan 0.000 0.523 443 F N -0.760 119.146 119.950 -0.073 0.000 2.752 443 F HA 0.060 4.587 4.527 0.000 0.000 0.310 443 F C 2.092 177.847 175.800 -0.075 0.000 1.097 443 F CA -0.063 57.893 58.000 -0.074 0.000 1.238 443 F CB 0.128 39.094 39.000 -0.057 0.000 1.061 443 F HN -0.209 nan 8.300 nan 0.000 0.591 444 V N 0.351 120.313 119.914 0.080 0.000 2.255 444 V HA -0.333 3.787 4.120 0.000 0.000 0.247 444 V C 2.216 178.277 176.094 -0.056 0.000 1.051 444 V CA 2.131 64.450 62.300 0.032 0.000 1.018 444 V CB -0.693 31.153 31.823 0.038 0.000 0.641 444 V HN 0.351 nan 8.190 nan 0.000 0.445 445 Q N -0.545 119.141 119.800 -0.190 0.000 2.224 445 Q HA -0.114 4.226 4.340 0.000 0.000 0.203 445 Q C 2.359 178.060 176.000 -0.499 0.000 0.970 445 Q CA 1.439 57.009 55.803 -0.388 0.000 0.865 445 Q CB -0.325 28.037 28.738 -0.627 0.000 0.922 445 Q HN 0.700 nan 8.270 nan 0.000 0.445 446 A N 1.200 123.810 122.820 -0.350 0.000 1.930 446 A HA -0.171 4.149 4.320 0.000 0.000 0.217 446 A C 2.031 179.641 177.584 0.043 0.000 1.175 446 A CA 1.171 53.136 52.037 -0.121 0.000 0.627 446 A CB -0.345 18.634 19.000 -0.036 0.000 0.815 446 A HN 0.180 nan 8.150 nan 0.000 0.443 447 R N -0.175 120.358 120.500 0.054 0.000 2.090 447 R HA -0.081 4.259 4.340 0.000 0.000 0.228 447 R C 1.641 178.021 176.300 0.133 0.000 1.110 447 R CA 1.297 57.476 56.100 0.132 0.000 0.973 447 R CB -0.224 30.142 30.300 0.111 0.000 0.869 447 R HN 0.539 nan 8.270 nan 0.000 0.440 448 N N 1.041 119.772 118.700 0.051 0.000 2.166 448 N HA -0.191 4.549 4.740 0.000 0.000 0.186 448 N C 1.701 177.249 175.510 0.063 0.000 1.019 448 N CA 0.808 53.885 53.050 0.045 0.000 0.856 448 N CB -0.171 38.320 38.487 0.008 0.000 0.993 448 N HN 0.265 nan 8.380 nan 0.000 0.426 449 L N 0.228 121.491 121.223 0.067 0.000 2.109 449 L HA -0.144 4.196 4.340 0.000 0.000 0.207 449 L C 2.097 179.067 176.870 0.166 0.000 1.086 449 L CA 1.378 56.288 54.840 0.116 0.000 0.760 449 L CB -0.660 41.487 42.059 0.148 0.000 0.910 449 L HN 0.074 nan 8.230 nan 0.000 0.437 450 Y N 1.450 121.792 120.300 0.070 0.000 2.181 450 Y HA -0.219 4.331 4.550 -0.000 0.000 0.288 450 Y C 2.775 178.711 175.900 0.061 0.000 1.146 450 Y CA 1.745 59.892 58.100 0.078 0.000 1.164 450 Y CB -0.227 38.285 38.460 0.087 0.000 0.982 450 Y HN 0.141 nan 8.280 nan 0.000 0.515 451 R N -1.120 119.383 120.500 0.005 0.000 2.115 451 R HA -0.088 4.252 4.340 0.000 0.000 0.230 451 R C 2.167 178.426 176.300 -0.068 0.000 1.111 451 R CA 1.343 57.397 56.100 -0.076 0.000 0.976 451 R CB -0.528 29.779 30.300 0.012 0.000 0.870 451 R HN 0.221 nan 8.270 nan 0.000 0.445 452 V N 1.444 121.351 119.914 -0.010 0.000 2.626 452 V HA -0.160 3.960 4.120 0.000 0.000 0.252 452 V C 2.070 178.157 176.094 -0.011 0.000 1.067 452 V CA 1.397 63.701 62.300 0.006 0.000 1.081 452 V CB -0.290 31.560 31.823 0.045 0.000 0.686 452 V HN 0.298 nan 8.190 nan 0.000 0.468 453 L N 0.251 121.452 121.223 -0.036 0.000 2.376 453 L HA 0.013 4.353 4.340 0.000 0.000 0.219 453 L C 2.487 179.290 176.870 -0.113 0.000 1.133 453 L CA 1.178 55.990 54.840 -0.047 0.000 0.816 453 L CB -0.842 41.205 42.059 -0.021 0.000 0.933 453 L HN 0.452 nan 8.230 nan 0.000 0.449 454 G N 0.136 108.825 108.800 -0.184 0.000 2.448 454 G HA2 -0.188 3.772 3.960 0.000 0.000 0.218 454 G HA3 -0.188 3.772 3.960 0.000 0.000 0.218 454 G C 1.647 176.499 174.900 -0.079 0.000 1.135 454 G CA 0.211 45.211 45.100 -0.166 0.000 0.784 454 G HN 0.319 nan 8.290 nan 0.000 0.543 455 K N -0.082 120.287 120.400 -0.052 0.000 2.288 455 K HA 0.051 4.371 4.320 0.000 0.000 0.201 455 K C 0.690 177.283 176.600 -0.010 0.000 1.048 455 K CA 0.416 56.689 56.287 -0.022 0.000 0.956 455 K CB 0.144 32.640 32.500 -0.008 0.000 0.746 455 K HN 0.353 nan 8.250 nan 0.000 0.461 456 Q N 1.203 120.997 119.800 -0.010 0.000 2.340 456 Q HA 0.232 4.572 4.340 0.000 0.000 0.259 456 Q C -2.578 173.420 176.000 -0.003 0.000 0.964 456 Q CA -2.392 53.413 55.803 0.003 0.000 0.900 456 Q CB 1.333 30.082 28.738 0.018 0.000 1.228 456 Q HN -0.104 nan 8.270 nan 0.000 0.449 457 P HA 0.028 nan 4.420 nan 0.000 0.267 457 P C 0.684 177.985 177.300 0.001 0.000 1.205 457 P CA 0.684 63.781 63.100 -0.004 0.000 0.765 457 P CB 0.831 32.530 31.700 -0.003 0.000 0.828 458 G N 2.560 111.359 108.800 -0.001 0.000 2.268 458 G HA2 -0.284 3.676 3.960 0.000 0.000 0.240 458 G HA3 -0.284 3.676 3.960 0.000 0.000 0.240 458 G C 1.210 176.123 174.900 0.021 0.000 1.010 458 G CA -0.128 44.975 45.100 0.005 0.000 0.618 458 G HN 0.447 nan 8.290 nan 0.000 0.516 459 Q N 0.306 120.121 119.800 0.024 0.000 2.167 459 Q HA 0.012 4.352 4.340 0.000 0.000 0.202 459 Q C 2.632 178.674 176.000 0.070 0.000 0.970 459 Q CA 1.802 57.635 55.803 0.049 0.000 0.855 459 Q CB -0.296 28.468 28.738 0.044 0.000 0.911 459 Q HN 0.821 nan 8.270 nan 0.000 0.438 460 Q N 0.227 120.047 119.800 0.033 0.000 2.172 460 Q HA -0.091 4.248 4.340 0.000 0.000 0.200 460 Q C 2.042 178.126 176.000 0.141 0.000 0.964 460 Q CA 0.861 56.715 55.803 0.085 0.000 0.855 460 Q CB 0.005 28.712 28.738 -0.050 0.000 0.918 460 Q HN 0.248 nan 8.270 nan 0.000 0.444 461 K N 0.758 121.209 120.400 0.085 0.000 2.057 461 K HA -0.136 4.184 4.320 0.000 0.000 0.206 461 K C 1.500 178.168 176.600 0.112 0.000 1.050 461 K CA 1.201 57.536 56.287 0.080 0.000 0.935 461 K CB 0.142 32.664 32.500 0.036 0.000 0.715 461 K HN 0.082 nan 8.250 nan 0.000 0.439 462 N N 1.388 120.152 118.700 0.108 0.000 2.188 462 N HA -0.163 4.577 4.740 0.000 0.000 0.184 462 N C 1.704 177.339 175.510 0.209 0.000 1.018 462 N CA 0.821 53.964 53.050 0.154 0.000 0.858 462 N CB -0.331 38.226 38.487 0.117 0.000 0.989 462 N HN 0.159 nan 8.380 nan 0.000 0.426 463 L N 0.880 122.212 121.223 0.182 0.000 2.012 463 L HA -0.078 4.262 4.340 0.000 0.000 0.210 463 L C 1.998 178.932 176.870 0.106 0.000 1.073 463 L CA 1.772 56.723 54.840 0.186 0.000 0.748 463 L CB -0.882 41.304 42.059 0.213 0.000 0.891 463 L HN 0.140 nan 8.230 nan 0.000 0.431 464 A N -1.462 121.406 122.820 0.081 0.000 1.902 464 A HA -0.285 4.035 4.320 0.000 0.000 0.217 464 A C 2.302 179.903 177.584 0.028 0.000 1.181 464 A CA 1.848 53.880 52.037 -0.009 0.000 0.623 464 A CB -1.223 17.789 19.000 0.020 0.000 0.818 464 A HN 0.663 nan 8.150 nan 0.000 0.443 465 Y N 1.436 121.740 120.300 0.006 0.000 2.200 465 Y HA -0.202 4.348 4.550 0.000 0.000 0.290 465 Y C 2.175 178.111 175.900 0.060 0.000 1.137 465 Y CA 2.054 60.169 58.100 0.023 0.000 1.163 465 Y CB -0.225 38.256 38.460 0.035 0.000 0.988 465 Y HN 0.332 nan 8.280 nan 0.000 0.518 466 N N 0.533 119.318 118.700 0.142 0.000 2.120 466 N HA -0.174 4.566 4.740 0.000 0.000 0.188 466 N C 1.937 177.556 175.510 0.182 0.000 1.024 466 N CA 1.986 55.150 53.050 0.190 0.000 0.852 466 N CB -0.432 38.271 38.487 0.361 0.000 1.003 466 N HN 0.456 nan 8.380 nan 0.000 0.424 467 I N 0.375 120.930 120.570 -0.024 0.000 2.202 467 I HA -0.112 4.058 4.170 0.000 0.000 0.242 467 I C 2.452 178.429 176.117 -0.233 0.000 1.091 467 I CA 1.152 62.227 61.300 -0.375 0.000 1.368 467 I CB -0.697 36.940 38.000 -0.606 0.000 1.058 467 I HN 0.119 nan 8.210 nan 0.000 0.410 468 G N 2.240 110.922 108.800 -0.197 0.000 2.446 468 G HA2 -0.241 3.719 3.960 0.000 0.000 0.217 468 G HA3 -0.241 3.719 3.960 0.000 0.000 0.217 468 G C 1.660 176.471 174.900 -0.148 0.000 1.168 468 G CA 1.115 46.119 45.100 -0.160 0.000 0.771 468 G HN 0.592 nan 8.290 nan 0.000 0.551 469 I N -2.974 117.457 120.570 -0.232 0.000 2.830 469 I HA 0.004 4.174 4.170 0.000 0.000 0.263 469 I C 2.312 178.397 176.117 -0.052 0.000 1.230 469 I CA 1.472 62.649 61.300 -0.204 0.000 1.480 469 I CB -0.396 37.385 38.000 -0.365 0.000 1.095 469 I HN 0.113 nan 8.210 nan 0.000 0.455 470 H N 1.809 120.851 119.070 -0.045 0.000 2.370 470 H HA 0.067 4.623 4.556 -0.000 0.000 0.304 470 H C 2.161 177.524 175.328 0.058 0.000 1.055 470 H CA 1.713 57.793 56.048 0.053 0.000 1.373 470 H CB 0.266 30.165 29.762 0.229 0.000 1.423 470 H HN 0.283 nan 8.280 nan 0.000 0.533 471 V N 1.754 121.747 119.914 0.131 0.000 2.759 471 V HA -0.166 3.954 4.120 0.000 0.000 0.256 471 V C 2.453 178.498 176.094 -0.080 0.000 1.080 471 V CA 1.733 63.978 62.300 -0.090 0.000 1.101 471 V CB -0.539 31.049 31.823 -0.392 0.000 0.698 471 V HN 0.471 nan 8.190 nan 0.000 0.477 472 E N 1.149 121.316 120.200 -0.056 0.000 2.097 472 E HA -0.240 4.110 4.350 0.000 0.000 0.196 472 E C 2.256 178.829 176.600 -0.044 0.000 1.000 472 E CA 1.638 58.011 56.400 -0.045 0.000 0.804 472 E CB -0.417 29.253 29.700 -0.051 0.000 0.740 472 E HN 0.588 nan 8.360 nan 0.000 0.454 473 G N 0.868 109.631 108.800 -0.061 0.000 2.443 473 G HA2 -0.068 3.892 3.960 0.000 0.000 0.219 473 G HA3 -0.068 3.892 3.960 0.000 0.000 0.219 473 G C 0.665 175.551 174.900 -0.024 0.000 1.131 473 G CA 0.541 45.606 45.100 -0.058 0.000 0.775 473 G HN 0.450 nan 8.290 nan 0.000 0.547 474 A N -0.649 122.170 122.820 -0.002 0.000 2.406 474 A HA 0.395 4.715 4.320 0.000 0.000 0.243 474 A C 0.964 178.544 177.584 -0.006 0.000 1.082 474 A CA -0.048 52.004 52.037 0.026 0.000 0.786 474 A CB -0.058 18.970 19.000 0.046 0.000 1.029 474 A HN 0.684 nan 8.150 nan 0.000 0.495 475 C N 3.244 122.549 119.300 0.009 0.000 2.611 475 C HA 0.249 4.709 4.460 0.000 0.000 0.416 475 C C -0.331 174.640 174.990 -0.031 0.000 1.366 475 C CA -0.680 58.336 59.018 -0.003 0.000 1.761 475 C CB -0.181 27.567 27.740 0.014 0.000 2.619 475 C HN 0.714 nan 8.230 nan 0.000 0.606 476 P HA -0.176 nan 4.420 nan 0.000 0.219 476 P C 1.124 178.389 177.300 -0.058 0.000 1.146 476 P CA 1.824 64.900 63.100 -0.039 0.000 0.808 476 P CB 0.018 31.712 31.700 -0.009 0.000 0.779 477 Q N -0.445 119.332 119.800 -0.039 0.000 2.079 477 Q HA -0.049 4.291 4.340 0.000 0.000 0.200 477 Q C 2.447 178.409 176.000 -0.064 0.000 0.974 477 Q CA 1.073 56.853 55.803 -0.038 0.000 0.840 477 Q CB -0.432 28.298 28.738 -0.013 0.000 0.898 477 Q HN 0.312 nan 8.270 nan 0.000 0.430 478 I N 0.733 121.269 120.570 -0.057 0.000 2.439 478 I HA -0.234 3.936 4.170 0.000 0.000 0.251 478 I C 2.276 178.273 176.117 -0.199 0.000 1.139 478 I CA 0.895 62.160 61.300 -0.057 0.000 1.438 478 I CB -0.119 37.901 38.000 0.033 0.000 1.085 478 I HN 0.258 nan 8.210 nan 0.000 0.427 479 Q N 0.252 119.877 119.800 -0.291 0.000 2.084 479 Q HA -0.287 4.053 4.340 0.000 0.000 0.202 479 Q C 2.207 177.609 176.000 -0.997 0.000 0.978 479 Q CA 1.518 56.944 55.803 -0.628 0.000 0.844 479 Q CB -0.191 28.263 28.738 -0.474 0.000 0.898 479 Q HN 0.534 nan 8.270 nan 0.000 0.426 480 Q N 0.838 120.339 119.800 -0.498 0.000 2.084 480 Q HA -0.171 4.169 4.340 0.000 0.000 0.202 480 Q C 1.966 177.844 176.000 -0.203 0.000 0.978 480 Q CA 1.130 56.774 55.803 -0.265 0.000 0.844 480 Q CB 0.124 28.825 28.738 -0.061 0.000 0.898 480 Q HN 0.293 nan 8.270 nan 0.000 0.426 481 R N -0.448 119.948 120.500 -0.174 0.000 2.120 481 R HA -0.086 4.254 4.340 0.000 0.000 0.234 481 R C 2.296 178.528 176.300 -0.114 0.000 1.123 481 R CA 1.179 57.220 56.100 -0.098 0.000 0.975 481 R CB -0.150 30.120 30.300 -0.050 0.000 0.866 481 R HN 0.167 nan 8.270 nan 0.000 0.446 482 V N 0.311 120.079 119.914 -0.243 0.000 2.307 482 V HA -0.241 3.879 4.120 0.000 0.000 0.245 482 V C 1.900 178.004 176.094 0.017 0.000 1.045 482 V CA 1.609 63.770 62.300 -0.232 0.000 1.024 482 V CB -0.556 30.911 31.823 -0.592 0.000 0.651 482 V HN 0.193 nan 8.190 nan 0.000 0.449 483 Y N 0.646 120.937 120.300 -0.015 0.000 2.224 483 Y HA -0.148 4.402 4.550 0.000 0.000 0.289 483 Y C 2.472 178.387 175.900 0.025 0.000 1.146 483 Y CA 0.780 58.887 58.100 0.011 0.000 1.182 483 Y CB -1.061 37.377 38.460 -0.038 0.000 0.983 483 Y HN 0.337 nan 8.280 nan 0.000 0.524 484 D N -0.401 120.073 120.400 0.123 0.000 2.117 484 D HA -0.183 4.457 4.640 0.000 0.000 0.198 484 D C 2.309 178.612 176.300 0.004 0.000 0.982 484 D CA 1.156 55.184 54.000 0.046 0.000 0.828 484 D CB -0.509 40.295 40.800 0.006 0.000 0.967 484 D HN 0.335 nan 8.370 nan 0.000 0.464 485 M N -0.567 119.020 119.600 -0.021 0.000 2.117 485 M HA -0.169 4.311 4.480 0.000 0.000 0.262 485 M C 1.561 177.799 176.300 -0.103 0.000 1.065 485 M CA 1.400 56.651 55.300 -0.081 0.000 1.114 485 M CB -0.058 32.446 32.600 -0.161 0.000 1.361 485 M HN -0.132 nan 8.290 nan 0.000 0.408 486 F N 0.282 120.251 119.950 0.033 0.000 2.407 486 F HA 0.070 4.597 4.527 0.000 0.000 0.299 486 F C 2.494 178.270 175.800 -0.039 0.000 1.097 486 F CA 1.013 59.014 58.000 0.002 0.000 1.422 486 F CB -0.821 38.156 39.000 -0.038 0.000 1.067 486 F HN 0.228 nan 8.300 nan 0.000 0.539 487 A N -0.260 122.632 122.820 0.120 0.000 2.015 487 A HA -0.160 4.160 4.320 0.000 0.000 0.219 487 A C 2.275 179.846 177.584 -0.021 0.000 1.163 487 A CA 1.186 53.244 52.037 0.034 0.000 0.646 487 A CB -0.659 18.351 19.000 0.017 0.000 0.806 487 A HN 0.313 nan 8.150 nan 0.000 0.448 488 R N -0.679 119.781 120.500 -0.067 0.000 2.235 488 R HA 0.019 4.359 4.340 0.000 0.000 0.213 488 R C 1.510 177.762 176.300 -0.081 0.000 1.059 488 R CA 1.044 57.034 56.100 -0.182 0.000 0.997 488 R CB -0.088 29.949 30.300 -0.438 0.000 0.884 488 R HN 0.368 nan 8.270 nan 0.000 0.462 489 V N -0.513 119.426 119.914 0.042 0.000 2.341 489 V HA -0.003 4.117 4.120 0.000 0.000 0.240 489 V C 0.174 176.277 176.094 0.015 0.000 1.035 489 V CA 1.304 63.657 62.300 0.088 0.000 1.033 489 V CB -0.027 31.873 31.823 0.127 0.000 0.678 489 V HN 0.292 nan 8.190 nan 0.000 0.464 490 D N -2.343 118.034 120.400 -0.039 0.000 2.871 490 D HA 0.262 4.902 4.640 0.000 0.000 0.209 490 D C 0.316 176.587 176.300 -0.049 0.000 1.292 490 D CA -0.385 53.582 54.000 -0.055 0.000 0.869 490 D CB 1.356 42.060 40.800 -0.160 0.000 1.663 490 D HN -0.094 nan 8.370 nan 0.000 0.557 491 K N 1.511 121.902 120.400 -0.016 0.000 2.211 491 K HA 0.058 4.378 4.320 0.000 0.000 0.203 491 K C 1.959 178.546 176.600 -0.022 0.000 1.050 491 K CA 1.094 57.372 56.287 -0.016 0.000 0.945 491 K CB 0.131 32.625 32.500 -0.011 0.000 0.732 491 K HN 0.455 nan 8.250 nan 0.000 0.451 492 G N 1.509 110.308 108.800 -0.001 0.000 2.402 492 G HA2 -0.213 3.747 3.960 0.000 0.000 0.216 492 G HA3 -0.213 3.747 3.960 0.000 0.000 0.216 492 G C 1.335 176.229 174.900 -0.010 0.000 1.162 492 G CA 0.203 45.312 45.100 0.015 0.000 0.777 492 G HN 0.154 nan 8.290 nan 0.000 0.539 493 L N 0.986 122.166 121.223 -0.071 0.000 2.056 493 L HA -0.049 4.291 4.340 0.000 0.000 0.207 493 L C 2.715 179.497 176.870 -0.147 0.000 1.078 493 L CA 2.269 57.012 54.840 -0.162 0.000 0.749 493 L CB -0.713 41.044 42.059 -0.503 0.000 0.901 493 L HN 0.349 nan 8.230 nan 0.000 0.433 494 S N -0.324 115.321 115.700 -0.092 0.000 2.370 494 S HA -0.187 4.283 4.470 0.000 0.000 0.226 494 S C 1.756 176.264 174.600 -0.155 0.000 1.033 494 S CA 1.351 59.516 58.200 -0.059 0.000 1.011 494 S CB -0.103 63.104 63.200 0.012 0.000 0.852 494 S HN 0.495 nan 8.310 nan 0.000 0.457 495 E N 1.321 121.442 120.200 -0.132 0.000 2.072 495 E HA -0.020 4.330 4.350 0.000 0.000 0.191 495 E C 2.407 178.910 176.600 -0.162 0.000 0.985 495 E CA 1.184 57.490 56.400 -0.158 0.000 0.801 495 E CB -0.867 28.777 29.700 -0.093 0.000 0.750 495 E HN 0.605 nan 8.360 nan 0.000 0.452 496 A N 1.008 123.763 122.820 -0.108 0.000 1.972 496 A HA -0.130 4.190 4.320 0.000 0.000 0.219 496 A C 2.320 179.839 177.584 -0.108 0.000 1.169 496 A CA 0.988 52.978 52.037 -0.077 0.000 0.635 496 A CB -0.593 18.393 19.000 -0.024 0.000 0.810 496 A HN 0.173 nan 8.150 nan 0.000 0.446 497 I N -0.770 119.698 120.570 -0.170 0.000 2.202 497 I HA -0.225 3.945 4.170 0.000 0.000 0.242 497 I C 2.492 178.488 176.117 -0.202 0.000 1.091 497 I CA 1.723 62.911 61.300 -0.186 0.000 1.368 497 I CB -0.225 37.636 38.000 -0.232 0.000 1.058 497 I HN 0.338 nan 8.210 nan 0.000 0.410 498 K N 1.531 121.679 120.400 -0.421 0.000 2.103 498 K HA -0.220 4.100 4.320 0.000 0.000 0.207 498 K C 2.064 178.506 176.600 -0.264 0.000 1.048 498 K CA 1.564 57.485 56.287 -0.610 0.000 0.930 498 K CB 0.063 32.014 32.500 -0.914 0.000 0.716 498 K HN 0.192 nan 8.250 nan 0.000 0.444 499 K N -0.060 120.229 120.400 -0.184 0.000 2.057 499 K HA -0.094 4.226 4.320 0.000 0.000 0.207 499 K C 1.976 178.546 176.600 -0.051 0.000 1.049 499 K CA 1.428 57.657 56.287 -0.097 0.000 0.931 499 K CB 0.009 32.468 32.500 -0.067 0.000 0.714 499 K HN -0.029 nan 8.250 nan 0.000 0.440 500 V N 1.205 121.094 119.914 -0.042 0.000 2.379 500 V HA -0.184 3.936 4.120 0.000 0.000 0.245 500 V C 2.246 178.317 176.094 -0.038 0.000 1.044 500 V CA 1.936 64.230 62.300 -0.009 0.000 1.036 500 V CB -0.557 31.263 31.823 -0.004 0.000 0.664 500 V HN 0.346 nan 8.190 nan 0.000 0.453 501 A N -0.791 122.002 122.820 -0.045 0.000 2.067 501 A HA -0.086 4.234 4.320 0.000 0.000 0.219 501 A C 1.171 178.756 177.584 0.001 0.000 1.158 501 A CA 1.062 53.092 52.037 -0.013 0.000 0.661 501 A CB -0.180 18.863 19.000 0.071 0.000 0.801 501 A HN 0.657 nan 8.150 nan 0.000 0.452 502 E N 0.000 120.193 120.200 -0.012 0.000 2.725 502 E HA 0.000 4.350 4.350 0.000 0.000 0.291 502 E CA 0.000 56.395 56.400 -0.008 0.000 0.976 502 E CB 0.000 29.692 29.700 -0.014 0.000 0.812 502 E HN 0.000 nan 8.360 nan 0.000 0.440